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

Systemtic Name: ethyl 5-bromanyl-3-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[5-(p-anisidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C21H18BrN3O4S2 MolecularWeight: 520.41932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18BrN3O4S2/c1-3-28-19(26)18-16(15-10-12(22)4-9-17(15)29-18)11-30-21-25-24-20(31-21)23-13-5-7-14(27-2)8-6-13/h4-10H,3,11H2,1-2H3,(H,23,24)