[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-34-22-14-12-21(13-15-22)27-24(29)18-32-25(30)23(16-19-8-4-2-5-9-19)28-26(31)33-17-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,27,29)(H,28,31)/t23-/m0/s1