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

Systemtic Name: methyl 2-[2-(2-phenylsulfanylethanoyloxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[1-oxo-2-(phenylthio)ethoxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[2-(phenylthio)acetyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c1-25-20(24)18-14-9-5-6-10-15(14)28-19(18)21-16(22)11-26-17(23)12-27-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,21,22)