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

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

Click to see the large picture

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