[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S2/c1-13(25-15-8-4-3-5-9-15)18(21)24-12-17(20)19-14-7-6-10-16(11-14)26(2,22)23/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1