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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

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