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

Systemtic Name: 2-methylpropyl (4R,7R)-4-(5-bromanyl-2-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4R,7R)-4-(5-bromo-2-fluoro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R,7R)-4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(5-bromo-2-fluoro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C25H25BrFNO3S MolecularWeight: 518.438303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrFNO3S/c1-13(2)12-31-25(30)22-14(3)28-19-9-15(21-5-4-8-32-21)10-20(29)24(19)23(22)17-11-16(26)6-7-18(17)27/h4-8,11,13,15,22-23H,9-10,12H2,1-3H3/t15-,22?,23-/m1/s1