[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-14(2)20(24)22-17-11-9-16(10-12-17)19(23)13-26-21(25)15(3)27-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,24)/t15-/m0/s1