methyl 2-(N-tert-butyl-C-methylsulfanyl-carbonimidoyl)-2,3-dicyano-3-phenyl-butanoate

Systemtic Name: methyl 2-(N-tert-butyl-C-methylsulfanyl-carbonimidoyl)-2,3-dicyano-3-phenyl-butanoate Openeye Name: methyl 2-(N-tert-butyl-C-methylsulfanyl-carbonimidoyl)-2,3-dicyano-3-phenyl-butanoate CAS Name: 2-[tert-butylimino-(methylthio)methyl]-2,3-dicyano-3-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-(N-tert-butyl-C-methylsulfanylcarbonimidoyl)-2,3-dicyano-3-phenylbutanoate Traditional Name: 2-[N-tert-butyl-C-(methylthio)carbonimidoyl]-2,3-dicyano-3-phenyl-butyric acid methyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(C(C#N)(C(=O)OC)C(C)(C#N)C1=CC=CC=C1)SC

Isomeric SMILES

CC(C)(C)N=C(C(C#N)(C(=O)OC)C(C)(C#N)C1=CC=CC=C1)SC

InChI

InChI=1S/C19H23N3O2S/c1-17(2,3)22-15(25-6)19(13-21,16(23)24-5)18(4,12-20)14-10-8-7-9-11-14/h7-11H,1-6H3