ethyl 5-acetyloxy-2-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(4-chlorophenyl)sulfanylmethyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[(4-chlorophenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(4-chlorophenyl)thio]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClO5S/c1-3-24-20(23)19-16-10-14(25-12(2)22)6-9-17(16)26-18(19)11-27-15-7-4-13(21)5-8-15/h4-10H,3,11H2,1-2H3