1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]ethyl ethanoate

Systemtic Name: 1-[4-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]ethyl ethanoate Openeye Name: 1-[4-oxo-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]ethyl acetate CAS Name: acetic acid 1-[4-oxo-3-[oxo-(2-thiazolylamino)methyl]-8-(trifluoromethyl)-1H-quinolin-2-yl]ethyl ester IUPAC Name: 1-[4-oxo-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]ethyl acetate Traditional Name: acetic acid 1-[4-keto-3-(thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]ethyl ester Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O4S/c1-8(28-9(2)25)13-12(16(27)24-17-22-6-7-29-17)15(26)10-4-3-5-11(14(10)23-13)18(19,20)21/h3-8H,1-2H3,(H,23,26)(H,22,24,27)