7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-4-oxidanylidene-8-propyl-1H-quinoline-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-4-oxidanylidene-8-propyl-1H-quinoline-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-4-oxo-8-propyl-1H-quinoline-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-4-oxo-8-propyl-1H-quinoline-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-4-oxo-8-propyl-1H-quinoline-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-4-keto-8-propyl-1H-quinoline-2-carboxylic acid Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C3=C(C=C2)C(=O)C=C(N3)C(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C3=C(C=C2)C(=O)C=C(N3)C(=O)O)CCC

InChI

InChI=1S/C27H31NO6S/c1-4-7-19-23(11-9-17(16(3)29)26(19)31)34-13-6-14-35-24-12-10-18-22(30)15-21(27(32)33)28-25(18)20(24)8-5-2/h9-12,15,31H,4-8,13-14H2,1-3H3,(H,28,30)(H,32,33)