cyclopentyl 4-(5-bromanyl-2-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclopentyl 4-(5-bromanyl-2-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclopentyl 4-(5-bromo-2-fluoro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(5-bromo-2-fluoro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C26H25BrFNO3S MolecularWeight: 530.449003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=C(C=CC(=C4)Br)F)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=C(C=CC(=C4)Br)F)C(=O)OC5CCCC5

InChI

InChI=1S/C26H25BrFNO3S/c1-14-23(26(31)32-17-5-2-3-6-17)24(18-13-16(27)8-9-19(18)28)25-20(29-14)11-15(12-21(25)30)22-7-4-10-33-22/h4,7-11,13,15,17,24-25,29H,2-3,5-6,12H2,1H3