methyl 4-[[5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[5-(5-bromo-2-thiophenyl)-1,3,4-oxadiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C15H10BrN3O4S MolecularWeight: 408.2266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=C(S3)Br

InChI

InChI=1S/C15H10BrN3O4S/c1-22-14(21)9-4-2-8(3-5-9)12(20)17-15-19-18-13(23-15)10-6-7-11(16)24-10/h2-7H,1H3,(H,17,19,20)