ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19FO4S2 MolecularWeight: 418.501563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19FO4S2/c1-2-24-21(23)20-14(19-15(22)5-3-6-18(19)28-20)12-27-13-7-8-16-17(11-13)26-10-4-9-25-16/h3,5-8,11H,2,4,9-10,12H2,1H3