(1-cyanoindolizin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=CN3C=CC=CC3=C2C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=CN3C=CC=CC3=C2C#N)C

InChI

InChI=1S/C20H18N2O2S/c1-14-6-7-19(15(2)9-14)25-13-20(23)24-12-16-11-22-8-4-3-5-18(22)17(16)10-21/h3-9,11H,12-13H2,1-2H3