(2S)-2-(3,4-dimethylphenyl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(3,4-dimethylphenyl)sulfanyl-2-phenyl-ethanoate Openeye Name: (2S)-2-(3,4-dimethylphenyl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(3,4-dimethylphenyl)thio]-2-phenylacetate IUPAC Name: (2S)-2-(3,4-dimethylphenyl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(3,4-dimethylphenyl)thio]-2-phenyl-acetate Formula: C16H15O2S- MolecularWeight: 271.3541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2S/c1-11-8-9-14(10-12(11)2)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