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

Systemtic Name: 4-[2-[5-(1-benzothiophen-2-yl)-2-methoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[5-(benzothiophen-2-yl)-2-methoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[5-(benzothiophen-2-yl)-2-methoxy-phenyl]acryloyl]benzoic acid Formula: C25H18O4S MolecularWeight: 414.47302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3S2)C(=C)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3S2)C(=C)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18O4S/c1-15(24(26)16-7-9-17(10-8-16)25(27)28)20-13-19(11-12-21(20)29-2)23-14-18-5-3-4-6-22(18)30-23/h3-14H,1H2,2H3,(H,27,28)