1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl pyridine-3-carboxylate

Systemtic Name: 1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl pyridine-3-carboxylate Openeye Name: 1-[4-oxo-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 1-[4-oxo-3-[oxo-(2-thiazolylamino)methyl]-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester IUPAC Name: 1-[4-oxo-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[4-keto-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl ester Formula: C23H17F3N4O4S MolecularWeight: 502.46569

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)C2=C(N1)C(=CC=C2)C(F)(F)F)C(=O)NC3=NC=CS3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CCC(C1=C(C(=O)C2=C(N1)C(=CC=C2)C(F)(F)F)C(=O)NC3=NC=CS3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H17F3N4O4S/c1-2-15(34-21(33)12-5-4-8-27-11-12)18-16(20(32)30-22-28-9-10-35-22)19(31)13-6-3-7-14(17(13)29-18)23(24,25)26/h3-11,15H,2H2,1H3,(H,29,31)(H,28,30,32)