(2R)-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: (2R)-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: (2R)-2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[(3-cyano-6-methyl-2-pyridinyl)thio]-2-phenylacetate IUPAC Name: (2R)-2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[(3-cyano-6-methyl-2-pyridyl)thio]-2-phenyl-acetate Formula: C15H11N2O2S- MolecularWeight: 283.32504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)S[C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H12N2O2S/c1-10-7-8-12(9-16)14(17-10)20-13(15(18)19)11-5-3-2-4-6-11/h2-8,13H,1H3,(H,18,19)/p-1/t13-/m1/s1