[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c1-22(19(14-21)10-3-2-4-11-19)17(23)13-25-18(24)9-12-26-16-7-5-15(20)6-8-16/h5-8H,2-4,9-13H2,1H3