3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-(4-bromanyl-3-methoxy-thiophen-2-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-(4-bromanyl-3-methoxy-thiophen-2-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-5-(4-bromo-3-methoxy-2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(4-bromo-3-methoxy-2-thiophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(4-bromo-3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-5-(4-bromo-3-methoxy-2-thienyl)-1,3,4-oxadiazol-2-one Formula: C16H11BrN2O6S MolecularWeight: 439.23734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H11BrN2O6S/c1-22-13-9(17)6-26-14(13)15-18-19(16(21)25-15)5-10(20)8-2-3-11-12(4-8)24-7-23-11/h2-4,6H,5,7H2,1H3