4-[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-benzoate

Systemtic Name: 4-[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-benzoate Openeye Name: 4-[[2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[[5-(2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylbenzoate IUPAC Name: 4-[[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-benzoate Formula: C22H19N4O4S- MolecularWeight: 435.47566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C(=O)[O-])C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C(=O)[O-])C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N4O4S/c1-3-26-20(18-11-14-6-4-5-7-17(14)30-18)24-25-22(26)31-12-19(27)23-16-9-8-15(21(28)29)10-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,27)(H,28,29)/p-1