6-(1,3-benzothiazol-7-yl)-6-[(4-fluorophenyl)carbonylamino]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid

Systemtic Name: 6-(1,3-benzothiazol-7-yl)-6-[(4-fluorophenyl)carbonylamino]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Openeye Name: 6-(1,3-benzothiazol-7-yl)-6-[(4-fluorobenzoyl)amino]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid CAS Name: 6-(1,3-benzothiazol-7-yl)-6-[[(4-fluorophenyl)-oxomethyl]amino]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid IUPAC Name: 6-(1,3-benzothiazol-7-yl)-6-[(4-fluorobenzoyl)amino]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Traditional Name: 6-(1,3-benzothiazol-7-yl)-6-[(4-fluorobenzoyl)amino]-4-methoxy-2,5-dihydropyridine-1-carboxylic acid Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCN(C(C1)(C2=C3C(=CC=C2)N=CS3)NC(=O)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=CCN(C(C1)(C2=C3C(=CC=C2)N=CS3)NC(=O)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H18FN3O4S/c1-29-15-9-10-25(20(27)28)21(11-15,16-3-2-4-17-18(16)30-12-23-17)24-19(26)13-5-7-14(22)8-6-13/h2-9,12H,10-11H2,1H3,(H,24,26)(H,27,28)