[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C18H15ClN2O3S2/c1-25-12-6-7-14(19)13(10-12)18(23)24-11-17(22)21-15-4-2-3-5-16(15)26-9-8-20/h2-7,10H,9,11H2,1H3,(H,21,22)