ethyl 3-methylsulfinyl-4-oxidanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 3-methylsulfinyl-4-oxidanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 4-hydroxy-3-methylsulfinyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate CAS Name: 4-hydroxy-3-methylsulfinyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-methylsulfinyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate Traditional Name: 4-hydroxy-3-methylsulfinyl-4,5,6,7-tetrahydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(C2=C(S1)S(=O)C)O

Isomeric SMILES

CCOC(=O)C1=C2CCCC(C2=C(S1)S(=O)C)O

InChI

InChI=1S/C12H16O4S2/c1-3-16-11(14)10-7-5-4-6-8(13)9(7)12(17-10)18(2)15/h8,13H,3-6H2,1-2H3