ethyl 3-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-pyrrolidin-1-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-(2-oxolanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-pyrrolidino-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3CC4CCCO4)N5CCCC5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3CC4CCCO4)N5CCCC5

InChI

InChI=1S/C23H28N4O4S/c1-2-29-21(28)20-18(17-9-3-4-10-19(17)31-20)15-32-23-25-24-22(26-11-5-6-12-26)27(23)14-16-8-7-13-30-16/h3-4,9-10,16H,2,5-8,11-15H2,1H3