[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C23H18N2O3S MolecularWeight: 402.46562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C23H18N2O3S/c24-12-13-29-20-7-2-1-6-19(20)25-21(26)14-28-23(27)18-11-10-16-9-8-15-4-3-5-17(18)22(15)16/h1-7,10-11H,8-9,13-14H2,(H,25,26)