2-[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C20H19FO5S MolecularWeight: 390.425263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F)OC

InChI

InChI=1S/C20H19FO5S/c1-3-26-18-10-13(5-8-17(18)25-2)4-7-16(22)14-6-9-19(15(21)11-14)27-12-20(23)24/h4-11H,3,12H2,1-2H3,(H,23,24)/b7-4+