6-oxidanyl-2-pentan-3-yl-1,3-benzothiazole-5-carboxylate

Systemtic Name: 6-oxidanyl-2-pentan-3-yl-1,3-benzothiazole-5-carboxylate Openeye Name: 2-(1-ethylpropyl)-6-hydroxy-1,3-benzothiazole-5-carboxylate CAS Name: 6-hydroxy-2-pentan-3-yl-1,3-benzothiazole-5-carboxylate IUPAC Name: 6-hydroxy-2-pentan-3-yl-1,3-benzothiazole-5-carboxylate Traditional Name: 2-(1-ethylpropyl)-6-hydroxy-1,3-benzothiazole-5-carboxylate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=C(S1)C=C(C(=C2)C(=O)[O-])O

Isomeric SMILES

CCC(CC)C1=NC2=C(S1)C=C(C(=C2)C(=O)[O-])O

InChI

InChI=1S/C13H15NO3S/c1-3-7(4-2)12-14-9-5-8(13(16)17)10(15)6-11(9)18-12/h5-7,15H,3-4H2,1-2H3,(H,16,17)/p-1