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

Systemtic Name: methyl 4-[(4-butylsulfanylphenyl)-(cyanomethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-butylsulfanyl-N-(cyanomethyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(butylthio)-N-(cyanomethyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-butylsulfanyl-N-(cyanomethyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(butylthio)-N-(cyanomethyl)anilino]-4-keto-butyric acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-3-4-13-23-15-7-5-14(6-8-15)19(12-11-18)16(20)9-10-17(21)22-2/h5-8H,3-4,9-10,12-13H2,1-2H3