4-[2-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[5-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[5-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]acryloyl]benzoic acid Formula: C26H20O5S MolecularWeight: 444.499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C(=C)C(=O)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C(=C)C(=O)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C26H20O5S/c1-15(25(27)16-8-10-17(11-9-16)26(28)29)19-13-20(22(31-3)14-21(19)30-2)24-12-18-6-4-5-7-23(18)32-24/h4-14H,1H2,2-3H3,(H,28,29)