methyl 2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H25N3O5S3 MolecularWeight: 495.6353

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S3/c1-29-21(26)19-15-6-2-3-7-16(15)31-20(19)23-17(25)13-30-18-9-8-14(12-22-18)32(27,28)24-10-4-5-11-24/h8-9,12H,2-7,10-11,13H2,1H3,(H,23,25)