[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)O

InChI

InChI=1S/C21H16N2O4S/c22-9-10-28-19-8-4-3-7-17(19)23-20(25)13-27-21(26)16-11-14-5-1-2-6-15(14)12-18(16)24/h1-8,11-12,24H,10,13H2,(H,23,25)