[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2R)-3-methyl-2-(2-thienylsulfonylamino)butanoate CAS Name: (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thienylsulfonylamino)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1(CCCC1)C#N)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1(CCCC1)C#N)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H23N3O5S2/c1-12(2)15(20-27(23,24)14-6-5-9-26-14)16(22)25-10-13(21)19-17(11-18)7-3-4-8-17/h5-6,9,12,15,20H,3-4,7-8,10H2,1-2H3,(H,19,21)/t15-/m1/s1