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

Systemtic Name: 4-[(E)-3-[3-(1-benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[3-(benzothiophen-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[3-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[3-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[3-(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=C(C(=C(C=C1)C=CC(=O)C2=CC=C(C=C2)C(=O)O)OC)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C(=O)O)OC)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C26H20O5S/c1-30-21-14-12-17(11-13-20(27)16-7-9-18(10-8-16)26(28)29)25(31-2)24(21)23-15-19-5-3-4-6-22(19)32-23/h3-15H,1-2H3,(H,28,29)/b13-11+