propan-2-yl (4S,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: propan-2-yl (4S,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: isopropyl (4S,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: (4S,7R)-4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S,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: (4S,7R)-4-(5-bromo-2-fluoro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isopropyl ester Formula: C24H23BrFNO3S MolecularWeight: 504.411723

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H23BrFNO3S/c1-12(2)30-24(29)21-13(3)27-18-9-14(20-5-4-8-31-20)10-19(28)23(18)22(21)16-11-15(25)6-7-17(16)26/h4-8,11-12,14,21-22H,9-10H2,1-3H3/t14-,21?,22+/m1/s1