6-(5-methanoyl-2-pentan-3-yl-imidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazol-2-olate

Systemtic Name: 6-(5-methanoyl-2-pentan-3-yl-imidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazol-2-olate Openeye Name: 6-[2-(1-ethylpropyl)-5-formyl-imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-1,3-benzoxazol-2-olate CAS Name: 6-(5-formyl-2-pentan-3-yl-6-imidazo[2,1-b][1,3,4]thiadiazolyl)-1,3-benzoxazol-2-olate IUPAC Name: 6-(5-formyl-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazol-2-olate Traditional Name: 6-[2-(1-ethylpropyl)-5-formyl-imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-1,3-benzoxazol-2-olate Formula: C17H15N4O3S- MolecularWeight: 355.391

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN2C(=C(N=C2S1)C3=CC4=C(C=C3)N=C(O4)[O-])C=O

Isomeric SMILES

CCC(CC)C1=NN2C(=C(N=C2S1)C3=CC4=C(C=C3)N=C(O4)[O-])C=O

InChI

InChI=1S/C17H16N4O3S/c1-3-9(4-2)15-20-21-12(8-22)14(19-16(21)25-15)10-5-6-11-13(7-10)24-17(23)18-11/h5-9H,3-4H2,1-2H3,(H,18,23)/p-1