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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-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=NC(=NO2)C3=CC=CS3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CC=CS3)OC

InChI

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