[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-14-6-5-7-15(12-14)19-17(20)13-22-18(21)10-11-23-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,19,20)