[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C21H12F4O5S MolecularWeight: 452.375593

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C21H12F4O5S/c1-28-9-12-18-14(22)3-2-4-16(18)31-19(12)20(27)29-10-5-6-11-13(21(23,24)25)8-17(26)30-15(11)7-10/h2-8H,9H2,1H3