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

Systemtic Name: 4-[2-(4-ethoxy-2-methoxy-5-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[4-ethoxy-2-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-(4-ethoxy-2-methoxy-5-thiophen-2-ylphenyl)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-(4-ethoxy-2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[4-ethoxy-2-methoxy-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C23H20O5S/c1-4-28-20-13-19(27-3)17(12-18(20)21-6-5-11-29-21)14(2)22(24)15-7-9-16(10-8-15)23(25)26/h5-13H,2,4H2,1,3H3,(H,25,26)