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methyl 4-[cyanomethyl-(2-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

methyl 4-[cyanomethyl-(2-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name:methyl 4-[cyanomethyl-(2-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate
Openeye Name:methyl 4-[N-(cyanomethyl)-2-methylsulfanyl-anilino]-4-oxo-butanoate
CAS Name:4-[N-(cyanomethyl)-2-(methylthio)anilino]-4-oxobutanoic acid methyl ester
IUPAC Name:methyl 4-[N-(cyanomethyl)-2-methylsulfanylanilino]-4-oxobutanoate
Traditional Name:4-[N-(cyanomethyl)-2-(methylthio)anilino]-4-keto-butyric acid methyl ester
Formula: C14H16N2O3S
MolecularWeight: 292.35344
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CC#N)C1=CC=CC=C1SC


Isomeric SMILES

COC(=O)CCC(=O)N(CC#N)C1=CC=CC=C1SC


InChI

InChI=1S/C14H16N2O3S/c1-19-14(18)8-7-13(17)16(10-9-15)11-5-3-4-6-12(11)20-2/h3-6H,7-8,10H2,1-2H3


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