ethyl 3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-[(2-oxo-1-pyrrolidinyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-[(2-ketopyrrolidino)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4=CC=CC=N4)CN5CCCC5=O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4=CC=CC=N4)CN5CCCC5=O

InChI

InChI=1S/C24H23N5O4S/c1-2-32-23(31)22-17(16-8-3-4-9-18(16)33-22)15-34-24-27-26-20(14-28-13-7-11-21(28)30)29(24)19-10-5-6-12-25-19/h3-6,8-10,12H,2,7,11,13-15H2,1H3