[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-16-9-10-19(13-17(16)2)27-15-21(25)26-14-20(24)23(12-6-11-22)18-7-4-3-5-8-18/h3-5,7-10,13H,6,12,14-15H2,1-2H3