4-[2-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[2-(cyclopropylmethoxy)-4-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2-(cyclopropylmethoxy)-4-methoxy-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C25H22O5S MolecularWeight: 434.50418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC4CC4

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC4CC4

InChI

InChI=1S/C25H22O5S/c1-15(24(26)17-7-9-18(10-8-17)25(27)28)19-12-20(23-4-3-11-31-23)21(29-2)13-22(19)30-14-16-5-6-16/h3-4,7-13,16H,1,5-6,14H2,2H3,(H,27,28)