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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic 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-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C15H11BrN2O4S MolecularWeight: 395.22784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)Br

InChI

InChI=1S/C15H11BrN2O4S/c1-20-12-3-2-9(6-11(12)16)15(19)21-7-13-17-14(22-18-13)10-4-5-23-8-10/h2-6,8H,7H2,1H3