[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c19-14-18(10-5-2-6-11-18)20-16(21)13-23-17(22)9-12-24-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-13H2,(H,20,21)