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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCSC1=CC=CC=C1)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCSC1=CC=CC=C1)C2(CCCCC2)C#N

InChI

InChI=1S/C19H24N2O3S/c1-21(19(15-20)11-6-3-7-12-19)17(22)14-24-18(23)10-13-25-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-14H2,1H3