2-[[(4S)-3-cyano-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(4S)-3-cyano-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4S)-5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]thio]acetate IUPAC Name: 2-[[(4S)-5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]thio]acetate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)[O-])C#N)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)[O-])C#N)C2=CC=CC=C2)C(=O)C

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/h3-7,16,19H,9H2,1-2H3,(H,21,22)/p-1/t16-/m1/s1