methyl (3aR,7aR)-2-methyl-5-(phenylsulfonyl)-3a,4,7,7a-tetrahydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (3aR,7aR)-2-methyl-5-(phenylsulfonyl)-3a,4,7,7a-tetrahydro-1-benzofuran-3-carboxylate Openeye Name: methyl (3aR,7aR)-5-(benzenesulfonyl)-2-methyl-3a,4,7,7a-tetrahydrobenzofuran-3-carboxylate CAS Name: (3aR,7aR)-5-(benzenesulfonyl)-2-methyl-3a,4,7,7a-tetrahydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-5-(benzenesulfonyl)-2-methyl-3a,4,7,7a-tetrahydro-1-benzofuran-3-carboxylate Traditional Name: (3aR,7aR)-5-besyl-2-methyl-3a,4,7,7a-tetrahydrobenzofuran-3-carboxylic acid methyl ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2CC(=CCC2O1)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@H]2CC(=CC[C@H]2O1)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C17H18O5S/c1-11-16(17(18)21-2)14-10-13(8-9-15(14)22-11)23(19,20)12-6-4-3-5-7-12/h3-8,14-15H,9-10H2,1-2H3/t14-,15+/m0/s1