ethyl 3-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3CC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3CC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C25H26N4O4S/c1-2-32-23(30)22-20(19-10-6-7-11-21(19)33-22)17-34-25-27-26-24(28-12-14-31-15-13-28)29(25)16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3