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Propanoic acid, 2-(benzoylamino)-3-[(phenylmethyl)thio]-, 2-[(2-cyanophenyl)amino]-2-oxoethyl ester
SpectraBase Compound ID 96nmpEd7bq1
InChI InChI=1S/C26H23N3O4S/c27-15-21-13-7-8-14-22(21)28-24(30)16-33-26(32)23(18-34-17-19-9-3-1-4-10-19)29-25(31)20-11-5-2-6-12-20/h1-14,23H,16-18H2,(H,28,30)(H,29,31)
InChIKey BWHBZFYKCTVPFY-UHFFFAOYSA-N
Mol Weight 473.55 g/mol
Molecular Formula C26H23N3O4S
Exact Mass 473.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tCnoCQBOK
Name Propanoic acid, 2-(benzoylamino)-3-[(phenylmethyl)thio]-, 2-[(2-cyanophenyl)amino]-2-oxoethyl ester
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Formula C26H23N3O4S
InChI InChI=1S/C26H23N3O4S/c27-15-21-13-7-8-14-22(21)28-24(30)16-33-26(32)23(18-34-17-19-9-3-1-4-10-19)29-25(31)20-11-5-2-6-12-20/h1-14,23H,16-18H2,(H,28,30)(H,29,31)
InChIKey BWHBZFYKCTVPFY-UHFFFAOYSA-N
Molecular Weight 473.547 g/mol
SMILES N(C(C(OCC(=O)Nc1ccccc1C#N)=O)CSCc1ccccc1)C(=O)c1ccccc1
SPLASH splash10-05ox-9600000000-6e96f4ee5e0aef888a4f
Source of Spectrum IY-1-4527-5
Synonyms 2-Benzamido-3-(phenylmethylthio)propanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester [2-(2-cyanoanilino)-2-oxoethyl] 2-benzamido-3-benzylsulfanylpropanoate [2-(2-cyanoanilino)-2-oxo-ethyl] 2-benzamido-3-benzylsulfanyl-propanoate [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate
Wiley ID 1653258