2-[4-[2-(1,3-benzothiazol-3-ium-2-yl)ethanoyl]-2-ethyl-5-oxidanyl-phenoxy]ethanoate

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-3-ium-2-yl)ethanoyl]-2-ethyl-5-oxidanyl-phenoxy]ethanoate Openeye Name: 2-[4-[2-(1,3-benzothiazol-3-ium-2-yl)acetyl]-2-ethyl-5-hydroxy-phenoxy]acetate CAS Name: 2-[4-[2-(1,3-benzothiazol-3-ium-2-yl)-1-oxoethyl]-2-ethyl-5-hydroxyphenoxy]acetate IUPAC Name: 2-[4-[2-(1,3-benzothiazol-3-ium-2-yl)acetyl]-2-ethyl-5-hydroxyphenoxy]acetate Traditional Name: 2-[4-[2-(1,3-benzothiazol-3-ium-2-yl)acetyl]-2-ethyl-5-hydroxy-phenoxy]acetate Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)CC2=[NH+]C3=CC=CC=C3S2)O)OCC(=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)CC2=[NH+]C3=CC=CC=C3S2)O)OCC(=O)[O-]

InChI

InChI=1S/C19H17NO5S/c1-2-11-7-12(14(21)8-16(11)25-10-19(23)24)15(22)9-18-20-13-5-3-4-6-17(13)26-18/h3-8,21H,2,9-10H2,1H3,(H,23,24)