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

Systemtic Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxidanylidene-3-quinazolin-6-yl-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[4-(benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxo-3-quinazolin-6-yl-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxo-3-(6-quinazolinyl)prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxo-3-quinazolin-6-ylprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-(benzothiophen-2-yl)-2-[(E)-3-keto-3-quinazolin-6-yl-prop-1-enyl]-5-methoxy-phenoxy]acetic acid Formula: C28H20N2O5S MolecularWeight: 496.5338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C=CC(=O)C4=CC5=CN=CN=C5C=C4)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)/C=C/C(=O)C4=CC5=CN=CN=C5C=C4)OCC(=O)O

InChI

InChI=1S/C28H20N2O5S/c1-34-25-13-24(35-15-28(32)33)18(11-21(25)27-12-19-4-2-3-5-26(19)36-27)7-9-23(31)17-6-8-22-20(10-17)14-29-16-30-22/h2-14,16H,15H2,1H3,(H,32,33)/b9-7+