(4,5-dimethoxy-2-methyl-phenyl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H21FO5S MolecularWeight: 404.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)OC)OC

InChI

InChI=1S/C21H21FO5S/c1-12-8-16(25-3)17(26-4)9-13(12)10-27-21(23)20-14(11-24-2)19-15(22)6-5-7-18(19)28-20/h5-9H,10-11H2,1-4H3