[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H18N2O3S/c23-12-13-24(19-8-2-1-3-9-19)21(25)15-27-22(26)16-28-20-11-10-17-6-4-5-7-18(17)14-20/h1-11,14H,13,15-16H2