[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C17H20N2O3S/c1-23-14-7-5-13(6-8-14)16(21)22-11-15(20)19-17(12-18)9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,19,20)