ethyl 4-[(4-butylsulfanylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-butylsulfanylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-butylsulfanyl-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(butylthio)-N-(cyanomethyl)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-butylsulfanyl-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(butylthio)-N-(cyanomethyl)anilino]-4-keto-butyric acid ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)N(CC#N)C(=O)CCC(=O)OCC

InChI

InChI=1S/C18H24N2O3S/c1-3-5-14-24-16-8-6-15(7-9-16)20(13-12-19)17(21)10-11-18(22)23-4-2/h6-9H,3-5,10-11,13-14H2,1-2H3