2-[(1R)-2-[(4-cyanophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate

Systemtic Name: 2-[(1R)-2-[(4-cyanophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate Openeye Name: 2-[(1R)-2-(4-cyanoanilino)-2-oxo-1-phenyl-ethyl]sulfanylacetate CAS Name: 2-[[(1R)-2-(4-cyanoanilino)-2-oxo-1-phenylethyl]thio]acetate IUPAC Name: 2-[(1R)-2-(4-cyanoanilino)-2-oxo-1-phenylethyl]sulfanylacetate Traditional Name: 2-[[(1R)-2-(4-cyanoanilino)-2-keto-1-phenyl-ethyl]thio]acetate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C#N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=CC=C(C=C2)C#N)SCC(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c18-10-12-6-8-14(9-7-12)19-17(22)16(23-11-15(20)21)13-4-2-1-3-5-13/h1-9,16H,11H2,(H,19,22)(H,20,21)/p-1/t16-/m1/s1