[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C15H18ClN3O5S2 MolecularWeight: 419.90352

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C15H18ClN3O5S2/c1-18(8-3-7-17)13(20)10-24-15(21)11-4-2-9-19(11)26(22,23)14-6-5-12(16)25-14/h5-6,11H,2-4,8-10H2,1H3