methyl 7-[1-(1,2-dihydroacenaphthylen-3-yl)-6-methoxy-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylate

Systemtic Name: methyl 7-[1-(1,2-dihydroacenaphthylen-3-yl)-6-methoxy-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylate Openeye Name: methyl 7-[1-(1,2-dihydroacenaphthylen-3-yl)-2-hydroxy-6-methoxy-6-oxo-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylate CAS Name: 7-[[1-(1,2-dihydroacenaphthylen-3-yl)-2-hydroxy-6-methoxy-6-oxohexyl]thio]-2-methoxy-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-[1-(1,2-dihydroacenaphthylen-3-yl)-2-hydroxy-6-methoxy-6-oxohexyl]sulfanyl-2-methoxyquinoline-3-carboxylate Traditional Name: 7-[(1-acenaphthen-3-yl-2-hydroxy-6-keto-6-methoxy-hexyl)thio]-2-methoxy-quinoline-3-carboxylic acid methyl ester Formula: C31H31NO6S MolecularWeight: 545.64594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=C4CCC5=CC=CC(=C54)C=C3)C(CCCC(=O)OC)O)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=C4CCC5=CC=CC(=C54)C=C3)C(CCCC(=O)OC)O)C(=O)OC

InChI

InChI=1S/C31H31NO6S/c1-36-27(34)9-5-8-26(33)29(23-15-12-19-7-4-6-18-11-14-22(23)28(18)19)39-21-13-10-20-16-24(31(35)38-3)30(37-2)32-25(20)17-21/h4,6-7,10,12-13,15-17,26,29,33H,5,8-9,11,14H2,1-3H3