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

Systemtic Name: 2-(2-propyl-1,3-benzothiazol-6-yl)ethanoic acid Openeye Name: 2-(2-propyl-1,3-benzothiazol-6-yl)acetic acid CAS Name: 2-(2-propyl-1,3-benzothiazol-6-yl)acetic acid IUPAC Name: 2-(2-propyl-1,3-benzothiazol-6-yl)acetic acid Traditional Name: 2-(2-propyl-1,3-benzothiazol-6-yl)acetic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

Isomeric SMILES

CCCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C12H13NO2S/c1-2-3-11-13-9-5-4-8(7-12(14)15)6-10(9)16-11/h4-6H,2-3,7H2,1H3,(H,14,15)