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

Systemtic Name: ethyl 5-ethyl-2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O5S3 MolecularWeight: 483.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC

InChI

InChI=1S/C20H25N3O5S3/c1-3-14-11-16(20(25)28-4-2)19(30-14)22-17(24)13-29-18-8-7-15(12-21-18)31(26,27)23-9-5-6-10-23/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,22,24)