2-ethylsulfanylethyl 4-(3-bromanyl-4-methoxy-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 4-(3-bromanyl-4-methoxy-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-bromo-4-methoxy-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(3-bromo-4-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-5-keto-7-(2-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C29H32BrNO5S MolecularWeight: 586.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4OC)C

InChI

InChI=1S/C29H32BrNO5S/c1-5-37-13-12-36-29(33)26-17(2)31-22-15-19(20-8-6-7-9-24(20)34-3)16-23(32)28(22)27(26)18-10-11-25(35-4)21(30)14-18/h6-11,14-15,19,27-28,31H,5,12-13,16H2,1-4H3