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

Systemtic Name: ethyl 5-bromanyl-3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 3-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-5-bromo-coumarilic acid ethyl ester Formula: C20H16BrN3O3S2 MolecularWeight: 490.39334

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O3S2/c1-2-26-18(25)17-15(14-10-12(21)8-9-16(14)27-17)11-28-20-24-23-19(29-20)22-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,22,23)