2-[2-(propylsulfanylmethyl)-1,3-benzothiazol-6-yl]ethanoic acid

Systemtic Name: 2-[2-(propylsulfanylmethyl)-1,3-benzothiazol-6-yl]ethanoic acid Openeye Name: 2-[2-(propylsulfanylmethyl)-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-[2-[(propylthio)methyl]-1,3-benzothiazol-6-yl]acetic acid IUPAC Name: 2-[2-(propylsulfanylmethyl)-1,3-benzothiazol-6-yl]acetic acid Traditional Name: 2-[2-[(propylthio)methyl]-1,3-benzothiazol-6-yl]acetic acid Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

Isomeric SMILES

CCCSCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C13H15NO2S2/c1-2-5-17-8-12-14-10-4-3-9(7-13(15)16)6-11(10)18-12/h3-4,6H,2,5,7-8H2,1H3,(H,15,16)