ethyl 3-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(3-amino-3-oxo-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(3-amino-3-keto-propyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)CCC(=O)N

InChI

InChI=1S/C19H22N4O4S/c1-3-23-16(10-9-15(20)24)21-22-19(23)28-11-13-12-7-5-6-8-14(12)27-17(13)18(25)26-4-2/h5-8H,3-4,9-11H2,1-2H3,(H2,20,24)