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

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O4S/c1-14(22)20-15-6-5-7-16(12-15)21-18(23)13-25-19(24)10-11-26-17-8-3-2-4-9-17/h2-9,12H,10-11,13H2,1H3,(H,20,22)(H,21,23)