ethyl 5-(5-azanyl-3-phenyl-pyrazol-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-(5-azanyl-3-phenyl-pyrazol-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-(5-amino-3-phenyl-pyrazol-1-yl)sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[(5-amino-3-phenyl-1-pyrazolyl)sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-(5-amino-3-phenyl-pyrazol-1-yl)sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=CC=C4)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=CC=C4)N)C

InChI

InChI=1S/C21H19N3O5S/c1-3-28-21(25)20-13(2)16-11-15(9-10-18(16)29-20)30(26,27)24-19(22)12-17(23-24)14-7-5-4-6-8-14/h4-12H,3,22H2,1-2H3