ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate

Systemtic Name: ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (1S,3aR,4R,5S,7aR)-1-ethyl-3-keto-5-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2C=CC(C(C2C(=O)O1)C(=O)OCC)C

Isomeric SMILES

CC[C@H]1[C@@H]2C=C[C@@H]([C@H]([C@@H]2C(=O)O1)C(=O)OCC)C

InChI

InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10-,11+,12+/m0/s1