(2S)-2-(2,4-dimethylphenyl)sulfanyl-3-methyl-butanoate

Systemtic Name: (2S)-2-(2,4-dimethylphenyl)sulfanyl-3-methyl-butanoate Openeye Name: (2S)-2-(2,4-dimethylphenyl)sulfanyl-3-methyl-butanoate CAS Name: (2S)-2-[(2,4-dimethylphenyl)thio]-3-methylbutanoate IUPAC Name: (2S)-2-(2,4-dimethylphenyl)sulfanyl-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dimethylphenyl)thio]-3-methyl-butyrate Formula: C13H17O2S- MolecularWeight: 237.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC(C(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S[C@@H](C(C)C)C(=O)[O-])C

InChI

InChI=1S/C13H18O2S/c1-8(2)12(13(14)15)16-11-6-5-9(3)7-10(11)4/h5-8,12H,1-4H3,(H,14,15)/p-1/t12-/m0/s1