methyl (4R,7R)-4-(3-bromanyl-4-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: methyl (4R,7R)-4-(3-bromanyl-4-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4R,7R)-4-(3-bromo-4-fluoro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,7R)-4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3-bromo-4-fluoro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C22H19BrFNO3S MolecularWeight: 476.358563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)F)Br)C(=O)CC(C2)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC(=C(C=C3)F)Br)C(=O)C[C@@H](C2)C4=CC=CS4

InChI

InChI=1S/C22H19BrFNO3S/c1-11-19(22(27)28-2)20(12-5-6-15(24)14(23)8-12)21-16(25-11)9-13(10-17(21)26)18-4-3-7-29-18/h3-8,13,19-20H,9-10H2,1-2H3/t13-,19?,20+/m1/s1