4-[3-(4-methoxy-3-thiophen-2-yl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]benzoic acid

Systemtic Name: 4-[3-(4-methoxy-3-thiophen-2-yl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]benzoic acid Openeye Name: 4-[1-[4-methoxy-3-(2-thienyl)benzoyl]vinyl]benzoic acid CAS Name: 4-[3-(4-methoxy-3-thiophen-2-ylphenyl)-3-oxoprop-1-en-2-yl]benzoic acid IUPAC Name: 4-[3-(4-methoxy-3-thiophen-2-ylphenyl)-3-oxoprop-1-en-2-yl]benzoic acid Traditional Name: 4-[1-[4-methoxy-3-(2-thienyl)benzoyl]vinyl]benzoic acid Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(=C)C2=CC=C(C=C2)C(=O)O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(=C)C2=CC=C(C=C2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C21H16O4S/c1-13(14-5-7-15(8-6-14)21(23)24)20(22)16-9-10-18(25-2)17(12-16)19-4-3-11-26-19/h3-12H,1H2,2H3,(H,23,24)