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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methoxynaphthalene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-methoxynaphthalene-2-carboxylate CAS Name: 3-methoxy-2-naphthalenecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate Traditional Name: 3-methoxynaphthalene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H18N2O4S/c1-27-19-13-16-7-3-2-6-15(16)12-17(19)22(26)28-14-21(25)24-18-8-4-5-9-20(18)29-11-10-23/h2-9,12-13H,11,14H2,1H3,(H,24,25)