2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxidanylidene-3-quinolin-8-yl-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxidanylidene-3-quinolin-8-yl-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[4-(benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxo-3-(8-quinolyl)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxo-3-(8-quinolinyl)prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxo-3-quinolin-8-ylprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-(benzothiophen-2-yl)-2-[(E)-3-keto-3-(8-quinolyl)prop-1-enyl]-5-methoxy-phenoxy]acetic acid Formula: C29H21NO5S MolecularWeight: 495.54574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C=CC(=O)C4=CC=CC5=C4N=CC=C5)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)/C=C/C(=O)C4=CC=CC5=C4N=CC=C5)OCC(=O)O

InChI

InChI=1S/C29H21NO5S/c1-34-25-16-24(35-17-28(32)33)19(14-22(25)27-15-20-6-2-3-10-26(20)36-27)11-12-23(31)21-9-4-7-18-8-5-13-30-29(18)21/h2-16H,17H2,1H3,(H,32,33)/b12-11+