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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-12-5-6-14(9-13(12)2)22-11-16(20)21-10-15(19)18(3)8-4-7-17/h5-6,9H,4,8,10-11H2,1-3H3