methyl 2-methyl-5-oxidanylidene-7-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-methyl-5-oxidanylidene-7-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 2-methyl-5-oxo-7-(2-thienyl)-4-[3-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-7-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-oxo-7-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-7-(2-thienyl)-4-[3-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C23H20F3NO3S MolecularWeight: 447.47001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C23H20F3NO3S/c1-12-19(22(29)30-2)20(13-5-3-6-15(9-13)23(24,25)26)21-16(27-12)10-14(11-17(21)28)18-7-4-8-31-18/h3-10,14,20-21,27H,11H2,1-2H3