4-[4-methoxy-2-[(2-methylpyridin-4-yl)carbonylamino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-methoxy-2-[(2-methylpyridin-4-yl)carbonylamino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-methoxy-2-[(2-methylpyridine-4-carbonyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-methoxy-2-[[(2-methyl-4-pyridinyl)-oxomethyl]amino]-1,3-benzothiazol-7-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-methoxy-2-[(2-methylpyridine-4-carbonyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-methoxy-2-[(2-methylisonicotinoyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCN(CC4)C(=O)O)OC

Isomeric SMILES

CC1=NC=CC(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCN(CC4)C(=O)O)OC

InChI

InChI=1S/C21H22N4O4S/c1-12-11-14(5-8-22-12)19(26)24-20-23-17-16(29-2)4-3-15(18(17)30-20)13-6-9-25(10-7-13)21(27)28/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,27,28)(H,23,24,26)