(5-methyl-2-oxidanylidene-oxolan-3-yl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (2-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C16H16O5S/c1-9-7-13(15(17)19-9)21-16(18)14-11(8-22-2)10-5-3-4-6-12(10)20-14/h3-6,9,13H,7-8H2,1-2H3