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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NOC(=N2)C3=CSC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NOC(=N2)C3=CSC=C3)OC

InChI

InChI=1S/C18H17BrN2O5S/c1-3-5-24-16-13(19)7-12(8-14(16)23-2)18(22)25-9-15-20-17(26-21-15)11-4-6-27-10-11/h4,6-8,10H,3,5,9H2,1-2H3