ethyl 3-(2,6-dimethylphenyl)sulfanylpropanoate

Systemtic Name: ethyl 3-(2,6-dimethylphenyl)sulfanylpropanoate Openeye Name: ethyl 3-(2,6-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(2,6-dimethylphenyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2,6-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(2,6-dimethylphenyl)thio]propionic acid ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(C=CC=C1C)C

Isomeric SMILES

CCOC(=O)CCSC1=C(C=CC=C1C)C

InChI

InChI=1S/C13H18O2S/c1-4-15-12(14)8-9-16-13-10(2)6-5-7-11(13)3/h5-7H,4,8-9H2,1-3H3