methyl 3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(4-methylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(4-methylanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-(p-toluidino)ethyl]thio]methyl]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H19NO3S/c1-13-6-8-16(9-7-13)19-17(20)12-23-11-14-4-3-5-15(10-14)18(21)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)