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

Systemtic Name: ethyl 3-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzofuran-2-carboxylate CAS Name: 3-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]coumarilic acid ethyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=CS4

InChI

InChI=1S/C21H20N4O4S2/c1-3-25-19(15-10-7-11-30-15)23-24-21(25)31-12-16(26)22-17-13-8-5-6-9-14(13)29-18(17)20(27)28-4-2/h5-11H,3-4,12H2,1-2H3,(H,22,26)