[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H23N3O6S2/c1-2-3-7-17-16(22)18-13(20)11-25-15(21)14-12(6-10-26-14)27(23,24)19-8-4-5-9-19/h6,10H,2-5,7-9,11H2,1H3,(H2,17,18,20,22)