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

Systemtic Name: methyl 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br)OC)OC

InChI

InChI=1S/C20H22BrNO6S/c1-25-12-9-11(15(21)17(27-3)16(12)26-2)18(23)22-19-14(20(24)28-4)10-7-5-6-8-13(10)29-19/h9H,5-8H2,1-4H3,(H,22,23)