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

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H17ClN2O3S2 MolecularWeight: 432.94358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C20H17ClN2O3S2/c1-13-8-15(21)4-7-18(13)23-19(24)9-26-20(25)14-2-5-17(6-3-14)28-11-16-10-27-12-22-16/h2-8,10,12H,9,11H2,1H3,(H,23,24)