[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H22N2O4S/c1-17-7-12-22(30-2)21(13-17)27-24(28)15-31-25(29)20-5-3-4-6-23(20)32-16-19-10-8-18(14-26)9-11-19/h3-13H,15-16H2,1-2H3,(H,27,28)