[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H24N2O3S/c1-16-11-17(2)13-19(12-16)24(10-6-9-23)21(25)14-27-22(26)15-28-20-8-5-4-7-18(20)3/h4-5,7-8,11-13H,6,10,14-15H2,1-3H3