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

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-methylthiazol-4-yl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CSC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CSC(=N3)C

InChI

InChI=1S/C21H20N2O3S2/c1-14-7-9-16(10-8-14)23-20(24)13-28-19-6-4-3-5-18(19)21(25)26-11-17-12-27-15(2)22-17/h3-10,12H,11,13H2,1-2H3,(H,23,24)