[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C20H17N3O4S3 MolecularWeight: 459.56168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

InChI

InChI=1S/C20H17N3O4S3/c1-12(24)21-15-7-3-13(4-8-15)17(25)11-27-18(26)14-5-9-16(10-6-14)23-20(28)30-19(22-23)29-2/h3-10H,11H2,1-2H3,(H,21,24)