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

Systemtic Name: 2-[(3-cyano-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)thio]acetic acid IUPAC Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)thio]acetic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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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(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)