methyl 2-[2-(2-bromanylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-bromanylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrNO4S/c1-23-18(22)16-11-6-2-5-9-14(11)25-17(16)20-15(21)10-24-13-8-4-3-7-12(13)19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,20,21)