2-azanyl-2-(1,3-benzothiazol-7-yl)-3-(2-methylpyridin-4-yl)carbonyl-piperidine-1-carboxylic acid

Systemtic Name: 2-azanyl-2-(1,3-benzothiazol-7-yl)-3-(2-methylpyridin-4-yl)carbonyl-piperidine-1-carboxylic acid Openeye Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-methylpyridine-4-carbonyl)piperidine-1-carboxylic acid CAS Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-[(2-methyl-4-pyridinyl)-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-methylpyridine-4-carbonyl)piperidine-1-carboxylic acid Traditional Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-methylisonicotinoyl)piperidine-1-carboxylic acid Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C(=O)C2CCCN(C2(C3=C4C(=CC=C3)N=CS4)N)C(=O)O

Isomeric SMILES

CC1=NC=CC(=C1)C(=O)C2CCCN(C2(C3=C4C(=CC=C3)N=CS4)N)C(=O)O

InChI

InChI=1S/C20H20N4O3S/c1-12-10-13(7-8-22-12)17(25)14-5-3-9-24(19(26)27)20(14,21)15-4-2-6-16-18(15)28-11-23-16/h2,4,6-8,10-11,14H,3,5,9,21H2,1H3,(H,26,27)