ethyl 2-methyl-4,5-bis(oxidanyl)-6-phenylsulfanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-4,5-bis(oxidanyl)-6-phenylsulfanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,5-dihydroxy-2-methyl-6-phenylsulfanyl-benzofuran-3-carboxylate CAS Name: 4,5-dihydroxy-2-methyl-6-(phenylthio)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dihydroxy-2-methyl-6-phenylsulfanyl-1-benzofuran-3-carboxylate Traditional Name: 4,5-dihydroxy-2-methyl-6-(phenylthio)benzofuran-3-carboxylic acid ethyl ester Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)O)O)SC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)O)O)SC3=CC=CC=C3)C

InChI

InChI=1S/C18H16O5S/c1-3-22-18(21)14-10(2)23-12-9-13(16(19)17(20)15(12)14)24-11-7-5-4-6-8-11/h4-9,19-20H,3H2,1-2H3