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

Systemtic Name: methyl 2-[2-(phenylmethyl)sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzylsulfonylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfonylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-benzylsulfonylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO5S2/c1-25-19(22)17-14-9-5-6-10-15(14)26-18(17)20-16(21)12-27(23,24)11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,21)