2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butyric acid Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C14H17NO2S/c1-3-14(4-2,13(16)17)9-12-15-10-7-5-6-8-11(10)18-12/h5-8H,3-4,9H2,1-2H3,(H,16,17)