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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC=CS2)C(=O)C=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC=CS2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16O4S/c1-25-19-13-16(20-3-2-12-26-20)9-10-17(19)18(22)11-6-14-4-7-15(8-5-14)21(23)24/h2-13H,1H3,(H,23,24)/b11-6+