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

Systemtic Name: ethyl 3-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(o-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(S3)NC4=CC=CC=C4C

InChI

InChI=1S/C21H19N3O3S2/c1-3-26-19(25)18-15(14-9-5-7-11-17(14)27-18)12-28-21-24-23-20(29-21)22-16-10-6-4-8-13(16)2/h4-11H,3,12H2,1-2H3,(H,22,23)