2-[[(4R)-5-cyano-3-ethanoyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(4R)-5-cyano-3-ethanoyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]thio]acetate IUPAC Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]thio]acetate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2)C#N)SCC(=O)[O-]

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2)C#N)SCC(=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c1-10-15(11(2)20)16(12-6-4-3-5-7-12)13(8-18)17(19-10)23-9-14(21)22/h3-7,15-16H,9H2,1-2H3,(H,21,22)/p-1/t15?,16-/m1/s1