methyl 3-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H19N3O5S3 MolecularWeight: 441.54486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19N3O5S3/c1-25-17(22)16-13(6-9-26-16)19-14(21)11-27-15-5-4-12(10-18-15)28(23,24)20-7-2-3-8-20/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,19,21)