[(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-oxo-1-[2-(phenylthio)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-keto-1-methyl-2-[2-(phenylthio)anilino]ethyl] ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H18N2O3S/c1-16(28-23(27)18-9-7-8-17(14-18)15-24)22(26)25-20-12-5-6-13-21(20)29-19-10-3-2-4-11-19/h2-14,16H,1H3,(H,25,26)/t16-/m1/s1