[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (2S)-2-benzamido-3-benzylsulfanyl-propanoate CAS Name: (2S)-2-benzamido-3-(phenylmethylthio)propanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-benzamido-3-benzylsulfanylpropanoate Traditional Name: (2S)-2-benzamido-3-(benzylthio)propionic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)OCC(=O)NC2=CC=CC=C2C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@H](C(=O)OCC(=O)NC2=CC=CC=C2C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H23N3O4S/c27-15-21-13-7-8-14-22(21)28-24(30)16-33-26(32)23(18-34-17-19-9-3-1-4-10-19)29-25(31)20-11-5-2-6-12-20/h1-14,23H,16-18H2,(H,28,30)(H,29,31)/t23-/m1/s1