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

Systemtic Name: 4-[(E)-3-(4-methoxy-2-oxidanyl-5-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2-hydroxy-4-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-(2-hydroxy-4-methoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(2-hydroxy-4-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[2-hydroxy-4-methoxy-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C21H16O5S MolecularWeight: 380.41374

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H16O5S/c1-26-19-12-18(23)15(11-16(19)20-3-2-10-27-20)8-9-17(22)13-4-6-14(7-5-13)21(24)25/h2-12,23H,1H3,(H,24,25)/b9-8+