(4-methyl-2-oxidanylidene-chromen-7-yl) 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H15FO5S MolecularWeight: 398.404203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

InChI

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