2-(2-pentan-3-yl-1,3-benzothiazol-6-yl)ethanoic acid

Systemtic Name: 2-(2-pentan-3-yl-1,3-benzothiazol-6-yl)ethanoic acid Openeye Name: 2-[2-(1-ethylpropyl)-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-(2-pentan-3-yl-1,3-benzothiazol-6-yl)acetic acid IUPAC Name: 2-(2-pentan-3-yl-1,3-benzothiazol-6-yl)acetic acid Traditional Name: 2-[2-(1-ethylpropyl)-1,3-benzothiazol-6-yl]acetic acid Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=C(S1)C=C(C=C2)CC(=O)O

Isomeric SMILES

CCC(CC)C1=NC2=C(S1)C=C(C=C2)CC(=O)O

InChI

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