methyl 2-methoxy-7-[6-methoxy-2-oxidanyl-6-oxidanylidene-1-(4-phenethylphenyl)hexyl]sulfanyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-methoxy-7-[6-methoxy-2-oxidanyl-6-oxidanylidene-1-(4-phenethylphenyl)hexyl]sulfanyl-quinoline-3-carboxylate Openeye Name: methyl 7-[2-hydroxy-6-methoxy-6-oxo-1-(4-phenethylphenyl)hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylate CAS Name: 7-[[2-hydroxy-6-methoxy-6-oxo-1-(4-phenethylphenyl)hexyl]thio]-2-methoxy-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-[2-hydroxy-6-methoxy-6-oxo-1-(4-phenethylphenyl)hexyl]sulfanyl-2-methoxyquinoline-3-carboxylate Traditional Name: 7-[[2-hydroxy-6-keto-6-methoxy-1-(4-phenethylphenyl)hexyl]thio]-2-methoxy-quinoline-3-carboxylic acid methyl ester Formula: C33H35NO6S MolecularWeight: 573.6991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=CC=C(C=C3)CCC4=CC=CC=C4)C(CCCC(=O)OC)O)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=CC=C(C=C3)CCC4=CC=CC=C4)C(CCCC(=O)OC)O)C(=O)OC

InChI

InChI=1S/C33H35NO6S/c1-38-30(36)11-7-10-29(35)31(24-16-14-23(15-17-24)13-12-22-8-5-4-6-9-22)41-26-19-18-25-20-27(33(37)40-3)32(39-2)34-28(25)21-26/h4-6,8-9,14-21,29,31,35H,7,10-13H2,1-3H3