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

Systemtic Name: 6-azanyl-6-(1,3-benzothiazol-7-yl)-5-(2-chloranylpyridin-4-yl)carbonyl-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Openeye Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-chloropyridine-4-carbonyl)-4-methoxy-2,5-dihydropyridine-1-carboxylic acid CAS Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-[(2-chloro-4-pyridinyl)-oxomethyl]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid IUPAC Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-chloropyridine-4-carbonyl)-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Traditional Name: 6-amino-6-(1,3-benzothiazol-7-yl)-5-(2-chloroisonicotinoyl)-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Formula: C20H17ClN4O4S MolecularWeight: 444.89138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O4S/c1-29-14-6-8-25(19(27)28)20(22,12-3-2-4-13-18(12)30-10-24-13)16(14)17(26)11-5-7-23-15(21)9-11/h2-7,9-10,16H,8,22H2,1H3,(H,27,28)