(3-cyanophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (3-cyanophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (3-cyanobenzyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C18H17NO2S/c1-13-6-7-17(14(2)8-13)22-12-18(20)21-11-16-5-3-4-15(9-16)10-19/h3-9H,11-12H2,1-2H3