[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-[(3R)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-[(3R)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 5-[(3R)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3R)-3-dithiolanyl]pentanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-[(3R)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3R)-dithiolan-3-yl]valeric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H26N2O3S2 MolecularWeight: 370.52994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCCC[C@@H]2CCSS2

InChI

InChI=1S/C17H26N2O3S2/c18-13-17(9-4-1-5-10-17)19-15(20)12-22-16(21)7-3-2-6-14-8-11-23-24-14/h14H,1-12H2,(H,19,20)/t14-/m1/s1