8-[4-[[6-(1-benzothiophen-3-yl)-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl]carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[[6-(1-benzothiophen-3-yl)-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[6-(benzothiophen-3-yl)-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[6-(1-benzothiophen-3-yl)-2-hydroxy-4-oxo-1H-quinolin-3-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[6-(1-benzothiophen-3-yl)-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[6-(benzothiophen-3-yl)-2-hydroxy-4-keto-1H-quinoline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C32H30N2O6S MolecularWeight: 570.6554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C3=CC4=C(C=C3)NC(=C(C4=O)C(=O)NC5=CC=C(C=C5)OCCCCCCCC(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)C3=CC4=C(C=C3)NC(=C(C4=O)C(=O)NC5=CC=C(C=C5)OCCCCCCCC(=O)O)O

InChI

InChI=1S/C32H30N2O6S/c35-28(36)10-4-2-1-3-7-17-40-22-14-12-21(13-15-22)33-31(38)29-30(37)24-18-20(11-16-26(24)34-32(29)39)25-19-41-27-9-6-5-8-23(25)27/h5-6,8-9,11-16,18-19H,1-4,7,10,17H2,(H,33,38)(H,35,36)(H2,34,37,39)