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

Systemtic Name: 4-[4-methoxy-2-[(2-methoxypyridin-4-yl)carbonylamino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-methoxy-2-[(2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-methoxy-2-[[(2-methoxy-4-pyridinyl)-oxomethyl]amino]-1,3-benzothiazol-7-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-methoxy-2-[(2-methoxypyridine-4-carbonyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-methoxy-2-[(2-methoxyisonicotinoyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3CCN(CC3)C(=O)O)SC(=N2)NC(=O)C4=CC(=NC=C4)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)C3CCN(CC3)C(=O)O)SC(=N2)NC(=O)C4=CC(=NC=C4)OC

InChI

InChI=1S/C21H22N4O5S/c1-29-15-4-3-14(12-6-9-25(10-7-12)21(27)28)18-17(15)23-20(31-18)24-19(26)13-5-8-22-16(11-13)30-2/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,27,28)(H,23,24,26)