methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-1H-quinoline-3-carboxylate Openeye Name: methyl 4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-quinoline-3-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H15F3N2O4S MolecularWeight: 436.40431

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4S/c1-29-19(28)16-17(27)13-7-2-3-8-14(13)25-18(16)30-10-15(26)24-12-6-4-5-11(9-12)20(21,22)23/h2-9H,10H2,1H3,(H,24,26)(H,25,27)