ethyl 3-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[2-(5-methylisoxazol-3-yl)pyrrolidin-1-yl]sulfonyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[[2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl]sulfonyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[2-(5-methylisoxazol-3-yl)pyrrolidino]sulfonyl-coumarilic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3C4=NOC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3C4=NOC(=C4)C)C

InChI

InChI=1S/C20H22N2O6S/c1-4-26-20(23)19-13(3)15-11-14(7-8-18(15)27-19)29(24,25)22-9-5-6-17(22)16-10-12(2)28-21-16/h7-8,10-11,17H,4-6,9H2,1-3H3