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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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