methyl 3-[2-(2-cyanoethylsulfanyl)-3-oxidanylidene-propyl]benzoate

Systemtic Name: methyl 3-[2-(2-cyanoethylsulfanyl)-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 3-[2-(2-cyanoethylsulfanyl)-3-oxo-propyl]benzoate CAS Name: 3-[2-(2-cyanoethylthio)-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(2-cyanoethylsulfanyl)-3-oxopropyl]benzoate Traditional Name: 3-[2-(2-cyanoethylthio)-3-keto-propyl]benzoic acid methyl ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC(C=O)SCCC#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC(C=O)SCCC#N

InChI

InChI=1S/C14H15NO3S/c1-18-14(17)12-5-2-4-11(8-12)9-13(10-16)19-7-3-6-15/h2,4-5,8,10,13H,3,7,9H2,1H3