methyl 2-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-bromo-2-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C20H22BrNO5S/c1-25-9-10-27-15-8-7-12(21)11-14(15)18(23)22-19-17(20(24)26-2)13-5-3-4-6-16(13)28-19/h7-8,11H,3-6,9-10H2,1-2H3,(H,22,23)