S-ethyl 2-methyl-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-carbothioate

Systemtic Name: S-ethyl 2-methyl-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-carbothioate Openeye Name: S-ethyl 2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-2-carbothioate CAS Name: 2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-2-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl 2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-carbothioate Traditional Name: 3-keto-2-methyl-3a,4,5,6,7,7a-hexahydrobenzofuran-2-carbothioic acid S-ethyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1(C(=O)C2CCCCC2O1)C

Isomeric SMILES

CCSC(=O)C1(C(=O)C2CCCCC2O1)C

InChI

InChI=1S/C12H18O3S/c1-3-16-11(14)12(2)10(13)8-6-4-5-7-9(8)15-12/h8-9H,3-7H2,1-2H3