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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O3S/c22-15-21(10-4-1-5-11-21)23-19(24)13-26-20(25)14-27-18-9-8-16-6-2-3-7-17(16)12-18/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,23,24)