6-azanyl-6-(1,3-benzothiazol-7-yl)-5-(2-chloranyl-6-methoxy-pyridin-4-yl)carbonyl-4-methoxy-2,5-dihydropyridine-1-carboxylic acid

Systemtic Name: 6-azanyl-6-(1,3-benzothiazol-7-yl)-5-(2-chloranyl-6-methoxy-pyridin-4-yl)carbonyl-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Openeye Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-chloro-6-methoxy-pyridine-4-carbonyl)-4-methoxy-2,5-dihydropyridine-1-carboxylic acid CAS Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-[(2-chloro-6-methoxy-4-pyridinyl)-oxomethyl]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid IUPAC Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-chloro-6-methoxypyridine-4-carbonyl)-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Traditional Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-chloro-6-methoxy-isonicotinoyl)-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCN(C(C1C(=O)C2=CC(=NC(=C2)Cl)OC)(C3=C4C(=CC=C3)N=CS4)N)C(=O)O

Isomeric SMILES

COC1=CCN(C(C1C(=O)C2=CC(=NC(=C2)Cl)OC)(C3=C4C(=CC=C3)N=CS4)N)C(=O)O

InChI

InChI=1S/C21H19ClN4O5S/c1-30-14-6-7-26(20(28)29)21(23,12-4-3-5-13-19(12)32-10-24-13)17(14)18(27)11-8-15(22)25-16(9-11)31-2/h3-6,8-10,17H,7,23H2,1-2H3,(H,28,29)