(1-methoxy-1-oxidanylidene-propan-2-yl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClO5S/c1-12(19(22)24-2)25-20(23)18-16(15-5-3-4-6-17(15)26-18)11-27-14-9-7-13(21)8-10-14/h3-10,12H,11H2,1-2H3