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ethyl 4-[cyanomethyl-(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

ethyl 4-[cyanomethyl-(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name:ethyl 4-[cyanomethyl-(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate
Openeye Name:ethyl 4-[N-(cyanomethyl)-3-methylsulfanyl-anilino]-4-oxo-butanoate
CAS Name:4-[N-(cyanomethyl)-3-(methylthio)anilino]-4-oxobutanoic acid ethyl ester
IUPAC Name:ethyl 4-[N-(cyanomethyl)-3-methylsulfanylanilino]-4-oxobutanoate
Traditional Name:4-[N-(cyanomethyl)-3-(methylthio)anilino]-4-keto-butyric acid ethyl ester
Formula: C15H18N2O3S
MolecularWeight: 306.38002
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC#N)C1=CC(=CC=C1)SC


Isomeric SMILES

CCOC(=O)CCC(=O)N(CC#N)C1=CC(=CC=C1)SC


InChI

InChI=1S/C15H18N2O3S/c1-3-20-15(19)8-7-14(18)17(10-9-16)12-5-4-6-13(11-12)21-2/h4-6,11H,3,7-8,10H2,1-2H3


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