2-ethylsulfanylethyl 4-(5-bromanyl-2-methoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 4-(5-bromanyl-2-methoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(5-bromo-2-methoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(5-bromo-2-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(5-bromo-2-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-7-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C30H34BrNO6S MolecularWeight: 616.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C30H34BrNO6S/c1-6-39-12-11-38-30(34)27-17(2)32-22-13-19(18-7-9-25(36-4)26(15-18)37-5)14-23(33)29(22)28(27)21-16-20(31)8-10-24(21)35-3/h7-10,15-16,19,28,32H,6,11-14H2,1-5H3