methyl 7-[1-(1,2-dihydroacenaphthylen-5-yl)-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylate

Systemtic Name: methyl 7-[1-(1,2-dihydroacenaphthylen-5-yl)-2-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylate Openeye Name: methyl 7-[1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-6-oxo-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylate CAS Name: 7-[[1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-6-oxohexyl]thio]-2-methoxy-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-[1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-6-oxohexyl]sulfanyl-2-methoxyquinoline-3-carboxylate Traditional Name: 7-[(1-acenaphthen-5-yl-2-hydroxy-6-keto-hexyl)thio]-2-methoxy-quinoline-3-carboxylic acid methyl ester Formula: C30H29NO5S MolecularWeight: 515.61996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=C4C=CC=C5C4=C(CC5)C=C3)C(CCCC=O)O)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SC(C3=C4C=CC=C5C4=C(CC5)C=C3)C(CCCC=O)O)C(=O)OC

InChI

InChI=1S/C30H29NO5S/c1-35-29-24(30(34)36-2)16-20-11-13-21(17-25(20)31-29)37-28(26(33)8-3-4-15-32)23-14-12-19-10-9-18-6-5-7-22(23)27(18)19/h5-7,11-17,26,28,33H,3-4,8-10H2,1-2H3