2-methoxyethyl 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: 2-methoxyethyl 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: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C24H23BrFNO4S MolecularWeight: 520.411123

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrFNO4S/c1-13-21(24(29)31-8-7-30-2)22(16-12-15(25)5-6-17(16)26)23-18(27-13)10-14(11-19(23)28)20-4-3-9-32-20/h3-6,9-10,12,14,22-23,27H,7-8,11H2,1-2H3