[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-15-7-9-17(10-8-15)22-21-23-18(14-27-21)13-26-20(25)12-11-19(24)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,22,23)