2-[4-(1-benzothiophen-2-yl)-2-[(E)-3-isoquinolin-6-yl-3-oxidanylidene-prop-1-enyl]-5-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(1-benzothiophen-2-yl)-2-[(E)-3-isoquinolin-6-yl-3-oxidanylidene-prop-1-enyl]-5-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(benzothiophen-2-yl)-2-[(E)-3-(6-isoquinolyl)-3-oxo-prop-1-enyl]-5-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(1-benzothiophen-2-yl)-2-[(E)-3-(6-isoquinolinyl)-3-oxoprop-1-enyl]-5-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(1-benzothiophen-2-yl)-2-[(E)-3-isoquinolin-6-yl-3-oxoprop-1-enyl]-5-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(benzothiophen-2-yl)-2-[(E)-3-(6-isoquinolyl)-3-keto-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=CC5=C(C=C4)C=NC=C5)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H21NO5S/c1-34-26-15-25(35-17-29(32)33)20(13-23(26)28-14-21-4-2-3-5-27(21)36-28)8-9-24(31)19-6-7-22-16-30-11-10-18(22)12-19/h2-16H,17H2,1H3,(H,32,33)/b9-8+