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

Systemtic Name: ethyl 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S2/c1-2-27-20(26)19-17(16-10-6-7-11-18(16)28-19)14-29-22-25-24-21(30-22)23-13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,24)