[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H21N3O5S2/c17-12-16(7-2-1-3-8-16)19-13(20)11-24-14(21)6-9-18-26(22,23)15-5-4-10-25-15/h4-5,10,18H,1-3,6-9,11H2,(H,19,20)