[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H17BrN2O3S/c1-14-11-15(20)7-8-17(14)26-13-19(24)25-12-18(23)22(10-9-21)16-5-3-2-4-6-16/h2-8,11H,10,12-13H2,1H3