1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C17H15BrN2O5S/c1-9(15-19-20-16(25-15)13-5-4-6-26-13)24-17(21)10-7-11(22-2)14(18)12(8-10)23-3/h4-9H,1-3H3