[(1S,2S)-1-benzamido-3-oxidanylidene-1-phenyl-3-phenylsulfanyl-propan-2-yl] benzoate

Systemtic Name: [(1S,2S)-1-benzamido-3-oxidanylidene-1-phenyl-3-phenylsulfanyl-propan-2-yl] benzoate Openeye Name: [(1S)-1-[(S)-benzamido(phenyl)methyl]-2-oxo-2-phenylsulfanyl-ethyl] benzoate CAS Name: benzoic acid [(1S,2S)-1-benzamido-3-oxo-1-phenyl-3-(phenylthio)propan-2-yl] ester IUPAC Name: [(1S,2S)-1-benzamido-3-oxo-1-phenyl-3-phenylsulfanylpropan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(S)-benzamido(phenyl)methyl]-2-keto-2-(phenylthio)ethyl] ester Formula: C29H23NO4S MolecularWeight: 481.56222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@@H](C(=O)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H23NO4S/c31-27(22-15-7-2-8-16-22)30-25(21-13-5-1-6-14-21)26(29(33)35-24-19-11-4-12-20-24)34-28(32)23-17-9-3-10-18-23/h1-20,25-26H,(H,30,31)/t25-,26-/m0/s1