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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3S2/c1-14-7-9-16(10-8-14)20(23)15(2)25-21(24)18-5-3-4-6-19(18)27-12-17-11-26-13-22-17/h3-11,13,15H,12H2,1-2H3