2-ethylsulfanylethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-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-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-7-(4-chlorophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C29H31BrClNO5S MolecularWeight: 620.98214

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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)Cl)NC(=C2C(=O)OCCSCC)C)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C29H31BrClNO5S/c1-4-36-24-15-19(12-21(30)28(24)34)26-25(29(35)37-10-11-38-5-2)16(3)32-22-13-18(14-23(33)27(22)26)17-6-8-20(31)9-7-17/h6-9,12,15,18,26,32,34H,4-5,10-11,13-14H2,1-3H3