ethyl 4-[[5-[(4-methylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-[(4-methylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[5-[[(4-methylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[5-(p-toluoylamino)-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H17N3O4S2/c1-3-23-13(21)8-12(20)9-24-16-19-18-15(25-16)17-14(22)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,17,18,22)