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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CC3=CC=CC=C3S2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CC3=CC=CC=C3S2)Br)OC

InChI

InChI=1S/C19H20BrNO3S/c1-23-15-9-12(14(20)11-16(15)24-2)7-8-21-19(22)18-10-13-5-3-4-6-17(13)25-18/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,21,22)