4-[(E)-3-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2-(cyclopropylmethoxy)-4-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2-(cyclopropylmethoxy)-4-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[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=CC(=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/c1-29-23-14-22(30-15-16-4-5-16)19(13-20(23)24-3-2-12-31-24)10-11-21(26)17-6-8-18(9-7-17)25(27)28/h2-3,6-14,16H,4-5,15H2,1H3,(H,27,28)/b11-10+