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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1)C3(CCCCC3)C#N

InChI

InChI=1S/C22H24N2O3S/c1-24(22(16-23)11-5-2-6-12-22)20(25)14-27-21(26)15-28-19-10-9-17-7-3-4-8-18(17)13-19/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3