ethyl 4-bromanyl-2-methanoyl-7-methyl-5-(4-morpholin-4-ylsulfonylphenyl)carbonyloxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-2-methanoyl-7-methyl-5-(4-morpholin-4-ylsulfonylphenyl)carbonyloxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-2-formyl-7-methyl-5-(4-morpholinosulfonylbenzoyl)oxy-benzofuran-3-carboxylate CAS Name: 4-bromo-2-formyl-7-methyl-5-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-formyl-7-methyl-5-(4-morpholin-4-ylsulfonylbenzoyl)oxy-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-2-formyl-7-methyl-5-(4-morpholinosulfonylbenzoyl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C24H22BrNO9S MolecularWeight: 580.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Br)C=O

InChI

InChI=1S/C24H22BrNO9S/c1-3-33-24(29)19-18(13-27)34-22-14(2)12-17(21(25)20(19)22)35-23(28)15-4-6-16(7-5-15)36(30,31)26-8-10-32-11-9-26/h4-7,12-13H,3,8-11H2,1-2H3