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(phenylmethyl) 2-[3-cyano-4-(4-fluorophenyl)-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanylethanoate
SpectraBase Compound ID 5xTpqm3gyCt
InChI InChI=1S/C30H24FN3O3S/c1-19-8-6-7-11-25(19)34-29(36)27-20(2)33-30(24(16-32)28(27)22-12-14-23(31)15-13-22)38-18-26(35)37-17-21-9-4-3-5-10-21/h3-15H,17-18H2,1-2H3,(H,34,36)
InChIKey QKJUOMJNYQOOBH-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C30H24FN3O3S
Exact Mass 525.152241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2y9a4QdZS1
Name (phenylmethyl) 2-[3-cyano-4-(4-fluorophenyl)-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanylethanoate
Alternate Name(s) 2-[[3-cyano-4-(4-fluorophenyl)-6-methyl-5-(o-tolylcarbamoyl)-2-pyridyl]thio]acetic acid benzyl ester 2-[[3-cyano-4-(4-fluorophenyl)-6-methyl-5-[(2-methylanilino)-oxomethyl]-2-pyridinyl]thio]acetic acid (phenylmethyl) ester benzyl 2-[3-cyano-4-(4-fluorophenyl)-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanylacetate benzyl 2-[[3-cyano-4-(4-fluorophenyl)-6-methyl-5-(o-tolylcarbamoyl)-2-pyridyl]sulfanyl]acetate
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Formula C30H24FN3O3S
InChI InChI=1S/C30H24FN3O3S/c1-19-8-6-7-11-25(19)34-29(36)27-20(2)33-30(24(16-32)28(27)22-12-14-23(31)15-13-22)38-18-26(35)37-17-21-9-4-3-5-10-21/h3-15H,17-18H2,1-2H3,(H,34,36)
InChIKey QKJUOMJNYQOOBH-UHFFFAOYSA-N
Molecular Weight 525.598 g/mol
SMILES N(C(c1c(c(C#N)c(nc1C)SCC(=O)OCc1ccccc1)-c1ccc(cc1)F)=O)c1c(C)cccc1
SPLASH splash10-0006-9450100000-4e4f810fbe4a71cf0fed
Wiley ID 1455027