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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16O4S/c1-25-19-11-5-14(13-17(19)20-3-2-12-26-20)4-10-18(22)15-6-8-16(9-7-15)21(23)24/h2-13H,1H3,(H,23,24)/b10-4+