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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CSC1=CC=CC=C1)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CSC1=CC=CC=C1)C2(CCCCC2)C#N

InChI

InChI=1S/C18H22N2O3S/c1-20(18(14-19)10-6-3-7-11-18)16(21)12-23-17(22)13-24-15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3