[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H20N2O3S/c1-17(23(27)26-21-15-9-8-12-19(21)16-25)29-24(28)22(18-10-4-2-5-11-18)30-20-13-6-3-7-14-20/h2-15,17,22H,1H3,(H,26,27)/t17-,22+/m1/s1