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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic 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 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C16H13BrN2O5S MolecularWeight: 425.25382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=NOC(=N2)C3=CSC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=NOC(=N2)C3=CSC=C3

InChI

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