(3aS,5S,6S)-5-ethanoyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,3a,4,6-tetrahydro-1-benzofuran-2-one

Systemtic Name: (3aS,5S,6S)-5-ethanoyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,3a,4,6-tetrahydro-1-benzofuran-2-one Openeye Name: (3aS,5S,6S)-5-acetyl-6-methyl-5-(p-tolylsulfinyl)-3,3a,4,6-tetrahydrobenzofuran-2-one CAS Name: (3aS,5S,6S)-5-acetyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,3a,4,6-tetrahydrobenzofuran-2-one IUPAC Name: (3aS,5S,6S)-5-acetyl-6-methyl-5-(4-methylphenyl)sulfinyl-3,3a,4,6-tetrahydro-1-benzofuran-2-one Traditional Name: (3aS,5S,6S)-5-acetyl-6-methyl-5-(p-tolylsulfinyl)-3,3a,4,6-tetrahydrobenzofuran-2-one Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2C(CC(=O)O2)CC1(C(=O)C)S(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1C=C2[C@@H](CC(=O)O2)C[C@]1(C(=O)C)S(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H20O4S/c1-11-4-6-15(7-5-11)23(21)18(13(3)19)10-14-9-17(20)22-16(14)8-12(18)2/h4-8,12,14H,9-10H2,1-3H3/t12-,14-,18-,23?/m0/s1