[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CC(=O)NCCC(=O)OCC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C14H18N2O4S/c1-10(17)15-8-7-14(19)20-9-13(18)16-11-5-3-4-6-12(11)21-2/h3-6H,7-9H2,1-2H3,(H,15,17)(H,16,18)