ethyl 5-(2-methoxy-4-methylsulfanyl-phenyl)carbonyloxy-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-(2-methoxy-4-methylsulfanyl-phenyl)carbonyloxy-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-(2-methoxy-4-methylsulfanyl-benzoyl)oxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[2-methoxy-4-(methylthio)phenyl]-oxomethoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methoxy-4-methylsulfanylbenzoyl)oxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[2-methoxy-4-(methylthio)benzoyl]oxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H22O6S MolecularWeight: 462.51428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=C(C=C(C=C3)SC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=C(C=C(C=C3)SC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22O6S/c1-4-30-26(28)23-20-14-17(10-13-21(20)32-24(23)16-8-6-5-7-9-16)31-25(27)19-12-11-18(33-3)15-22(19)29-2/h5-15H,4H2,1-3H3