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

Systemtic Name: 2-[2-(ethylsulfanylmethyl)-1,3-benzothiazol-6-yl]ethanoic acid Openeye Name: 2-[2-(ethylsulfanylmethyl)-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-[2-[(ethylthio)methyl]-1,3-benzothiazol-6-yl]acetic acid IUPAC Name: 2-[2-(ethylsulfanylmethyl)-1,3-benzothiazol-6-yl]acetic acid Traditional Name: 2-[2-[(ethylthio)methyl]-1,3-benzothiazol-6-yl]acetic acid Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

Isomeric SMILES

CCSCC1=NC2=C(S1)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C12H13NO2S2/c1-2-16-7-11-13-9-4-3-8(6-12(14)15)5-10(9)17-11/h3-5H,2,6-7H2,1H3,(H,14,15)