2-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 2-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 2-[(E)-3-[5-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 2-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 2-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 2-[(E)-3-[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=CC(=O)C4=CC=CC=C4C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)/C=C/C(=O)C4=CC=CC=C4C(=O)O)OC

InChI

InChI=1S/C26H20O5S/c1-30-22-15-23(31-2)20(25-14-17-7-3-6-10-24(17)32-25)13-16(22)11-12-21(27)18-8-4-5-9-19(18)26(28)29/h3-15H,1-2H3,(H,28,29)/b12-11+