[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-1-methyl-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)C(C)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

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