ethyl 4-fluoranyl-3-[(2-oxidanylidenechromen-7-yl)oxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(2-oxidanylidenechromen-7-yl)oxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(2-oxochromen-7-yl)oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(2-oxochromen-7-yl)oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(2-ketochromen-7-yl)oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H15FO5S MolecularWeight: 398.404203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H15FO5S/c1-2-25-21(24)20-14(19-15(22)4-3-5-17(19)28-20)11-26-13-8-6-12-7-9-18(23)27-16(12)10-13/h3-10H,2,11H2,1H3