ethyl 3-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(o-phenetidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(OC4=CC=CC=C43)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(OC4=CC=CC=C43)C(=O)OCC

InChI

InChI=1S/C22H21N3O4S2/c1-3-27-18-12-8-6-10-16(18)23-21-24-25-22(31-21)30-13-15-14-9-5-7-11-17(14)29-19(15)20(26)28-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,24)