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

Systemtic Name: methyl (4S,7R)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C24H24BrNO5S MolecularWeight: 518.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3Br)OC)OC)C(=O)CC(C2)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC(=C(C=C3Br)OC)OC)C(=O)C[C@@H](C2)C4=CC=CS4

InChI

InChI=1S/C24H24BrNO5S/c1-12-21(24(28)31-4)22(14-10-18(29-2)19(30-3)11-15(14)25)23-16(26-12)8-13(9-17(23)27)20-6-5-7-32-20/h5-7,10-11,13,21-22H,8-9H2,1-4H3/t13-,21?,22+/m1/s1