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

Systemtic Name: 2-ethylsulfanylethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-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-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-7-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H36BrNO7S MolecularWeight: 646.58904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCCSCC)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCCSCC)C)Br)O

InChI

InChI=1S/C31H36BrNO7S/c1-6-39-26-16-20(12-21(32)30(26)35)28-27(31(36)40-10-11-41-7-2)17(3)33-22-13-19(14-23(34)29(22)28)18-8-9-24(37-4)25(15-18)38-5/h8-9,12,15-16,19,28,33,35H,6-7,10-11,13-14H2,1-5H3