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

Systemtic Name: propyl 4-[cyanomethyl-(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[N-(cyanomethyl)-3-methylsulfanyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(cyanomethyl)-3-(methylthio)anilino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[N-(cyanomethyl)-3-methylsulfanylanilino]-4-oxobutanoate Traditional Name: 4-[N-(cyanomethyl)-3-(methylthio)anilino]-4-keto-butyric acid propyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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