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

Systemtic Name: propyl 4-[cyanomethyl-(3-ethylsulfanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[N-(cyanomethyl)-3-ethylsulfanyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(cyanomethyl)-3-(ethylthio)anilino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[N-(cyanomethyl)-3-ethylsulfanylanilino]-4-oxobutanoate Traditional Name: 4-[N-(cyanomethyl)-3-(ethylthio)anilino]-4-keto-butyric acid propyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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