ethyl 5-[cyclohexylcarbonyl(thiophen-2-ylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[cyclohexylcarbonyl(thiophen-2-ylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl(2-thienylsulfonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-thiophen-2-ylsulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl(thiophen-2-ylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl(2-thienylsulfonyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C28H27NO6S2 MolecularWeight: 537.64708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO6S2/c1-2-34-28(31)25-22-18-21(15-16-23(22)35-26(25)19-10-5-3-6-11-19)29(27(30)20-12-7-4-8-13-20)37(32,33)24-14-9-17-36-24/h3,5-6,9-11,14-18,20H,2,4,7-8,12-13H2,1H3