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

Systemtic Name: methyl 3-[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-[[5-(2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H19ClN4O4S/c1-3-27-20(18-11-13-6-4-5-7-17(13)31-18)25-26-22(27)32-12-19(28)24-16-10-14(21(29)30-2)8-9-15(16)23/h4-11H,3,12H2,1-2H3,(H,24,28)