ethyl (3aR,5R,6R)-6-methyl-2-oxidanylidene-5-(phenylsulfinyl)-3,3a,4,6-tetrahydro-1-benzofuran-5-carboxylate

Systemtic Name: ethyl (3aR,5R,6R)-6-methyl-2-oxidanylidene-5-(phenylsulfinyl)-3,3a,4,6-tetrahydro-1-benzofuran-5-carboxylate Openeye Name: ethyl (3aR,5R,6R)-5-(benzenesulfinyl)-6-methyl-2-oxo-3,3a,4,6-tetrahydrobenzofuran-5-carboxylate CAS Name: (3aR,5R,6R)-5-(benzenesulfinyl)-6-methyl-2-oxo-3,3a,4,6-tetrahydrobenzofuran-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,5R,6R)-5-(benzenesulfinyl)-6-methyl-2-oxo-3,3a,4,6-tetrahydro-1-benzofuran-5-carboxylate Traditional Name: (3aR,5R,6R)-5-(benzenesulfinyl)-2-keto-6-methyl-3,3a,4,6-tetrahydrobenzofuran-5-carboxylic acid ethyl ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2CC(=O)OC2=CC1C)S(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(C[C@H]2CC(=O)OC2=C[C@H]1C)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20O5S/c1-3-22-17(20)18(24(21)14-7-5-4-6-8-14)11-13-10-16(19)23-15(13)9-12(18)2/h4-9,12-13H,3,10-11H2,1-2H3/t12-,13-,18-,24?/m1/s1