[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)SC3=CC=CC=C3

InChI

InChI=1S/C24H20N2O3S/c25-16-15-18-11-13-20(14-12-18)26-22(27)17-29-24(28)23(19-7-3-1-4-8-19)30-21-9-5-2-6-10-21/h1-14,23H,15,17H2,(H,26,27)/t23-/m1/s1