methyl 4-[[5-[(5-bromanylfuran-2-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(5-bromanylfuran-2-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(5-bromofuran-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(5-bromofuran-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(5-bromo-2-furoyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C16H12BrN3O4S2 MolecularWeight: 454.31818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H12BrN3O4S2/c1-23-14(22)10-4-2-9(3-5-10)8-25-16-20-19-15(26-16)18-13(21)11-6-7-12(17)24-11/h2-7H,8H2,1H3,(H,18,19,21)