[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-14-10-15(2)12-16(11-14)20-18(21)13-23-19(22)8-9-24-17-6-4-3-5-7-17/h3-7,10-12H,8-9,13H2,1-2H3,(H,20,21)