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

Systemtic Name: ethyl 2-[2-(2-phenylsulfanylethanoyloxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-phenylsulfanylacetyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[1-oxo-2-(phenylthio)ethoxy]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-phenylsulfanylacetyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[2-(phenylthio)acetyl]oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S2/c1-3-27-22(26)19-16-11-7-8-12-17(16)30-21(19)23-20(25)14(2)28-18(24)13-29-15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,23,25)