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

Systemtic Name: ethyl 4-bromanyl-2-methanoyl-7-methyl-5-(4-piperidin-1-ylsulfonylphenyl)carbonyloxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-2-formyl-7-methyl-5-[4-(1-piperidylsulfonyl)benzoyl]oxy-benzofuran-3-carboxylate CAS Name: 4-bromo-2-formyl-7-methyl-5-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-formyl-7-methyl-5-(4-piperidin-1-ylsulfonylbenzoyl)oxy-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-2-formyl-7-methyl-5-(4-piperidinosulfonylbenzoyl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C25H24BrNO8S MolecularWeight: 578.42896

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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)N4CCCCC4)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)Br)C=O

InChI

InChI=1S/C25H24BrNO8S/c1-3-33-25(30)20-19(14-28)34-23-15(2)13-18(22(26)21(20)23)35-24(29)16-7-9-17(10-8-16)36(31,32)27-11-5-4-6-12-27/h7-10,13-14H,3-6,11-12H2,1-2H3