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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-20(10-4-9-19)17(21)12-23-18(22)13-24-16-8-7-14-5-2-3-6-15(14)11-16/h2-3,5-8,11H,4,10,12-13H2,1H3