ethyl 3-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]coumarilic acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C18H20N4O5S/c1-3-9-22-17(25)20-21-18(22)28-10-13(23)19-14-11-7-5-6-8-12(11)27-15(14)16(24)26-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,25)