[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-13(26-20(25)14(2)27-18-7-5-4-6-8-18)19(24)22-17-11-9-16(10-12-17)21-15(3)23/h4-14H,1-3H3,(H,21,23)(H,22,24)/t13-,14+/m1/s1