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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

Isomeric SMILES

CCCCCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C14H17NO2S/c1-2-3-4-5-13-15-11-7-6-10(9-14(16)17)8-12(11)18-13/h6-8H,2-5,9H2,1H3,(H,16,17)