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methyl 4-[cyanomethyl-(3-ethylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

methyl 4-[cyanomethyl-(3-ethylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name:methyl 4-[cyanomethyl-(3-ethylsulfanylphenyl)amino]-4-oxidanylidene-butanoate
Openeye Name:methyl 4-[N-(cyanomethyl)-3-ethylsulfanyl-anilino]-4-oxo-butanoate
CAS Name:4-[N-(cyanomethyl)-3-(ethylthio)anilino]-4-oxobutanoic acid methyl ester
IUPAC Name:methyl 4-[N-(cyanomethyl)-3-ethylsulfanylanilino]-4-oxobutanoate
Traditional Name:4-[N-(cyanomethyl)-3-(ethylthio)anilino]-4-keto-butyric acid methyl ester
Formula: C15H18N2O3S
MolecularWeight: 306.38002
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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)N(CC#N)C(=O)CCC(=O)OC


Isomeric SMILES

CCSC1=CC=CC(=C1)N(CC#N)C(=O)CCC(=O)OC


InChI

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


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