(2S)-2,4-dimethyl-5-oxidanyl-2-(phenylmethyl)thiophen-3-one

Systemtic Name: (2S)-2,4-dimethyl-5-oxidanyl-2-(phenylmethyl)thiophen-3-one Openeye Name: (2S)-2-benzyl-5-hydroxy-2,4-dimethyl-thiophen-3-one CAS Name: (2S)-5-hydroxy-2,4-dimethyl-2-(phenylmethyl)-3-thiophenone IUPAC Name: (2S)-2-benzyl-5-hydroxy-2,4-dimethylthiophen-3-one Traditional Name: (2S)-2-benzyl-5-hydroxy-2,4-dimethyl-thiophen-3-one Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(C1=O)(C)CC2=CC=CC=C2)O

Isomeric SMILES

CC1=C(S[C@@](C1=O)(C)CC2=CC=CC=C2)O

InChI

InChI=1S/C13H14O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h3-7,15H,8H2,1-2H3/t13-/m0/s1