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2-Butenoic acid, 3-amino-2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-, ethyl ester
SpectraBase Compound ID 3YpOXPHuZKa
InChI InChI=1S/C16H16ClN3O4S/c1-3-23-15(22)13(9(2)18)12(21)8-25-16-20-19-14(24-16)10-4-6-11(17)7-5-10/h4-7H,3,8,18H2,1-2H3/b13-9+
InChIKey GSCIBHZADSBGQA-UKTHLTGXSA-N
Mol Weight 381.83 g/mol
Molecular Formula C16H16ClN3O4S
Exact Mass 381.055005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x1jahKLg0G
Name 2-Butenoic acid, 3-amino-2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-, ethyl ester
Alternate Name(s) (E)-3-amino-2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]-2-butenoic acid ethyl ester Ethyl (E)-3-amino-2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-2-enoate Ethyl (E)-3-azanyl-2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]but-2-enoate
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Formula C16H16ClN3O4S
InChI InChI=1S/C16H16ClN3O4S/c1-3-23-15(22)13(9(2)18)12(21)8-25-16-20-19-14(24-16)10-4-6-11(17)7-5-10/h4-7H,3,8,18H2,1-2H3/b13-9+
InChIKey GSCIBHZADSBGQA-UKTHLTGXSA-N
Molecular Weight 381.834 g/mol
SMILES N\C(=C/(C(=O)CSc1nnc(o1)-c1ccc(cc1)Cl)C(OCC)=O)C
SPLASH splash10-0a4i-6900000000-07e2630f952f99e2efd4
Source of Spectrum IY-1-4537-0
Wiley ID 1653353