2-sulfanylethyl 3-(3,4,5-trimethylphenyl)propanoate

Systemtic Name: 2-sulfanylethyl 3-(3,4,5-trimethylphenyl)propanoate Openeye Name: 2-sulfanylethyl 3-(3,4,5-trimethylphenyl)propanoate CAS Name: 3-(3,4,5-trimethylphenyl)propanoic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl 3-(3,4,5-trimethylphenyl)propanoate Traditional Name: 3-(3,4,5-trimethylphenyl)propionic acid 2-mercaptoethyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)CCC(=O)OCCS

Isomeric SMILES

CC1=CC(=CC(=C1C)C)CCC(=O)OCCS

InChI

InChI=1S/C14H20O2S/c1-10-8-13(9-11(2)12(10)3)4-5-14(15)16-6-7-17/h8-9,17H,4-7H2,1-3H3