1-[[4-cyano-4-(6-methylsulfanylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[4-cyano-4-(6-methylsulfanylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(6-methylsulfanyl-2-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-[6-(methylthio)-2-pyridinyl]-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(6-methylsulfanylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-[6-(methylthio)-2-pyridyl]piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=N1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

Isomeric SMILES

CSC1=CC=CC(=N1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

InChI

InChI=1S/C23H22N4O3S/c1-31-20-7-4-6-19(25-20)23(15-24)8-11-26(12-9-23)14-16-13-17(22(29)30)21(28)27-10-3-2-5-18(16)27/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,29,30)