(2S)-2-(2,5-dimethylphenyl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(2,5-dimethylphenyl)sulfanyl-2-phenyl-ethanoate Openeye Name: (2S)-2-(2,5-dimethylphenyl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(2,5-dimethylphenyl)thio]-2-phenylacetate IUPAC Name: (2S)-2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(2,5-dimethylphenyl)thio]-2-phenyl-acetate Formula: C16H15O2S- MolecularWeight: 271.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H16O2S/c1-11-8-9-12(2)14(10-11)19-15(16(17)18)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H,17,18)/p-1/t15-/m0/s1