ethyl 5-[(4-bromophenyl)sulfonyl-phenoxycarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(4-bromophenyl)sulfonyl-phenoxycarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)sulfonyl-phenoxycarbonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[oxo(phenoxy)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)sulfonyl-phenoxycarbonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(carbophenoxy)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H22BrNO7S MolecularWeight: 620.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C30H22BrNO7S/c1-2-37-29(33)27-25-19-22(15-18-26(25)39-28(27)20-9-5-3-6-10-20)32(30(34)38-23-11-7-4-8-12-23)40(35,36)24-16-13-21(31)14-17-24/h3-19H,2H2,1H3