[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C20H18N2O3S2/c1-14-6-8-15(9-7-14)22-19(23)10-25-20(24)17-4-2-3-5-18(17)27-12-16-11-26-13-21-16/h2-9,11,13H,10,12H2,1H3,(H,22,23)