[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2SC[C@H]3CCCO3

InChI

InChI=1S/C21H26N2O4S/c22-15-21(10-4-1-5-11-21)23-19(24)13-27-20(25)17-8-2-3-9-18(17)28-14-16-7-6-12-26-16/h2-3,8-9,16H,1,4-7,10-14H2,(H,23,24)/t16-/m1/s1