2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-allyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid CAS Name: 2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid IUPAC Name: 2-[(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-allyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid Formula: C12H12NO2S2+ MolecularWeight: 266.35918

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O

Isomeric SMILES

C=CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O

InChI

InChI=1S/C12H11NO2S2/c1-2-7-13-9-5-3-4-6-10(9)17-12(13)16-8-11(14)15/h2-6H,1,7-8H2/p+1