N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide Formula: C21H21BrFNO4S MolecularWeight: 482.363143

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H21BrFNO4S/c1-26-11-13-19-15(23)5-4-6-18(19)29-20(13)21(25)24-8-7-12-9-16(27-2)17(28-3)10-14(12)22/h4-6,9-10H,7-8,11H2,1-3H3,(H,24,25)