methyl 4-[[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(4-bromo-3-methoxy-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-bromo-3-methoxy-2-thiophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-bromo-3-methoxythiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzoate Traditional Name: 4-[[5-(4-bromo-3-methoxy-2-thienyl)-2-keto-1,3,4-oxadiazol-3-yl]methyl]benzoic acid methyl ester Formula: C16H13BrN2O5S MolecularWeight: 425.25382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H13BrN2O5S/c1-22-12-11(17)8-25-13(12)14-18-19(16(21)24-14)7-9-3-5-10(6-4-9)15(20)23-2/h3-6,8H,7H2,1-2H3