(phenylmethyl) 2-[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethanoate Openeye Name: benzyl 2-[5-(4-bromo-3-methoxy-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate CAS Name: 2-[5-(4-bromo-3-methoxy-2-thiophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-bromo-3-methoxythiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate Traditional Name: 2-[5-(4-bromo-3-methoxy-2-thienyl)-2-keto-1,3,4-oxadiazol-3-yl]acetic acid benzyl ester Formula: C16H13BrN2O5S MolecularWeight: 425.25382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H13BrN2O5S/c1-22-13-11(17)9-25-14(13)15-18-19(16(21)24-15)7-12(20)23-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3