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methyl 4-[cyanomethyl-(4-propylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

methyl 4-[cyanomethyl-(4-propylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name:methyl 4-[cyanomethyl-(4-propylsulfanylphenyl)amino]-4-oxidanylidene-butanoate
Openeye Name:methyl 4-[N-(cyanomethyl)-4-propylsulfanyl-anilino]-4-oxo-butanoate
CAS Name:4-[N-(cyanomethyl)-4-(propylthio)anilino]-4-oxobutanoic acid methyl ester
IUPAC Name:methyl 4-[N-(cyanomethyl)-4-propylsulfanylanilino]-4-oxobutanoate
Traditional Name:4-[N-(cyanomethyl)-4-(propylthio)anilino]-4-keto-butyric acid methyl ester
Formula: C16H20N2O3S
MolecularWeight: 320.4066
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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OC


Isomeric SMILES

CCCSC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OC


InChI

InChI=1S/C16H20N2O3S/c1-3-12-22-14-6-4-13(5-7-14)18(11-10-17)15(19)8-9-16(20)21-2/h4-7H,3,8-9,11-12H2,1-2H3


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