ethyl 3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran-1-carboxylate

Systemtic Name: ethyl 3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran-1-carboxylate Openeye Name: ethyl 3-methylsulfanyl-4,5,6,7-tetrahydroisobenzofuran-1-carboxylate CAS Name: 3-(methylthio)-4,5,6,7-tetrahydroisobenzofuran-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran-1-carboxylate Traditional Name: 3-(methylthio)-4,5,6,7-tetrahydroisobenzofuran-1-carboxylic acid ethyl ester Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCCC2=C(O1)SC

Isomeric SMILES

CCOC(=O)C1=C2CCCCC2=C(O1)SC

InChI

InChI=1S/C12H16O3S/c1-3-14-11(13)10-8-6-4-5-7-9(8)12(15-10)16-2/h3-7H2,1-2H3