ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate

Systemtic Name: ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate Openeye Name: ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate CAS Name: 3-(4-mercaptophenyl)-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate Traditional Name: 3-(4-mercaptophenyl)-2,2-dimethyl-propionic acid ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=CC=C(C=C1)S

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=CC=C(C=C1)S

InChI

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