(2S,3S)-3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

Systemtic Name: (2S,3S)-3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Openeye Name: (2S,3S)-3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one CAS Name: (2S,3S)-3,6-dimethyl-2-(phenylthio)-3,5,6,7-tetrahydro-2H-benzofuran-4-one IUPAC Name: (2S,3S)-3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Traditional Name: (2S,3S)-3,6-dimethyl-2-(phenylthio)-3,5,6,7-tetrahydro-2H-benzofuran-4-one Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(C(O2)SC3=CC=CC=C3)C)C(=O)C1

Isomeric SMILES

C[C@@H]1[C@@H](OC2=C1C(=O)CC(C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C16H18O2S/c1-10-8-13(17)15-11(2)16(18-14(15)9-10)19-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3/t10?,11-,16-/m0/s1