ethyl 2-[(4-ethylphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethylphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3)O)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3)O)C(=O)OCC

InChI

InChI=1S/C20H20O4S/c1-3-13-5-8-15(9-6-13)25-12-18-19(20(22)23-4-2)16-11-14(21)7-10-17(16)24-18/h5-11,21H,3-4,12H2,1-2H3