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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] naphthalene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O3S/c22-11-12-27-19-8-4-3-7-18(19)23-20(24)14-26-21(25)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13H,12,14H2,(H,23,24)