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

Systemtic Name: 2-azanyl-2-(1,3-benzothiazol-7-yl)-3-(2-methoxypyridin-4-yl)carbonyl-piperidine-1-carboxylic acid Openeye Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-methoxypyridine-4-carbonyl)piperidine-1-carboxylic acid CAS Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-[(2-methoxy-4-pyridinyl)-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-methoxypyridine-4-carbonyl)piperidine-1-carboxylic acid Traditional Name: 2-amino-2-(1,3-benzothiazol-7-yl)-3-(2-methoxyisonicotinoyl)piperidine-1-carboxylic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)C(=O)C2CCCN(C2(C3=C4C(=CC=C3)N=CS4)N)C(=O)O

Isomeric SMILES

COC1=NC=CC(=C1)C(=O)C2CCCN(C2(C3=C4C(=CC=C3)N=CS4)N)C(=O)O

InChI

InChI=1S/C20H20N4O4S/c1-28-16-10-12(7-8-22-16)17(25)13-5-3-9-24(19(26)27)20(13,21)14-4-2-6-15-18(14)29-11-23-15/h2,4,6-8,10-11,13H,3,5,9,21H2,1H3,(H,26,27)