[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C

InChI

InChI=1S/C22H22N2O3S2/c1-15-7-9-17(10-8-15)11-23-20(25)12-27-21(26)19-6-4-3-5-18(19)14-29-22-24-16(2)13-28-22/h3-10,13H,11-12,14H2,1-2H3,(H,23,25)