ethyl 5-[3-azanyl-4-(3,4,5-triethoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[3-azanyl-4-(3,4,5-triethoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[3-amino-4-(3,4,5-triethoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[3-amino-4-(3,4,5-triethoxyphenyl)-1-pyrazolyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-amino-4-(3,4,5-triethoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[3-amino-4-(3,4,5-triethoxyphenyl)pyrazol-1-yl]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C27H31N3O8S MolecularWeight: 557.61534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=CN(N=C2N)S(=O)(=O)C3=CC4=C(C=C3)OC(=C4C)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=CN(N=C2N)S(=O)(=O)C3=CC4=C(C=C3)OC(=C4C)C(=O)OCC

InChI

InChI=1S/C27H31N3O8S/c1-6-34-22-12-17(13-23(35-7-2)25(22)36-8-3)20-15-30(29-26(20)28)39(32,33)18-10-11-21-19(14-18)16(5)24(38-21)27(31)37-9-4/h10-15H,6-9H2,1-5H3,(H2,28,29)