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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)-4-cyano-piperidin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)-4-cyano-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-4-cyano-1-piperidinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)-4-cyanopiperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)-4-cyano-piperidino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=NC3=CC=CC=C3S2)CC4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=NC3=CC=CC=C3S2)CC4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

InChI

InChI=1S/C24H20N4O3S/c25-15-24(23-26-18-5-1-2-7-20(18)32-23)8-11-27(12-9-24)14-16-13-17(22(30)31)21(29)28-10-4-3-6-19(16)28/h1-7,10,13H,8-9,11-12,14H2,(H,30,31)