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

Systemtic Name: ethyl 5-ethyl-2-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O5S3 MolecularWeight: 497.65118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O5S3/c1-3-15-12-17(21(26)29-4-2)20(31-15)23-18(25)14-30-19-9-8-16(13-22-19)32(27,28)24-10-6-5-7-11-24/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,23,25)