ethyl 4-fluoranyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(E)-3-(3-methoxyphenyl)acryloyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H19FO5S MolecularWeight: 414.446663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)/C=C/C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H19FO5S/c1-3-27-22(25)21-16(20-17(23)8-5-9-18(20)29-21)13-28-19(24)11-10-14-6-4-7-15(12-14)26-2/h4-12H,3,13H2,1-2H3/b11-10+