1-[[4-cyano-4-(5-methylsulfanylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[4-cyano-4-(5-methylsulfanylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-cyano-4-(5-methylsulfanyl-2-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-cyano-4-[5-(methylthio)-2-pyridinyl]-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-cyano-4-(5-methylsulfanylpyridin-2-yl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-cyano-4-[5-(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=CN=C(C=C1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

Isomeric SMILES

CSC1=CN=C(C=C1)C2(CCN(CC2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O)C#N

InChI

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