[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C12H15N3O5S2 MolecularWeight: 345.3946

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C12H15N3O5S2/c1-15(6-3-5-13)10(16)9-20-11(17)8-14-22(18,19)12-4-2-7-21-12/h2,4,7,14H,3,6,8-9H2,1H3