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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H17FO5S MolecularWeight: 412.430783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=C(C=CC=C4S3)F)COC

InChI

InChI=1S/C22H17FO5S/c1-12-6-7-14-13(9-19(24)28-17(14)8-12)10-27-22(25)21-15(11-26-2)20-16(23)4-3-5-18(20)29-21/h3-9H,10-11H2,1-2H3