propan-2-yl 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide

Systemtic Name: propan-2-yl 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate bromide Openeye Name: isopropyl 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate bromide CAS Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid propan-2-yl ester bromide IUPAC Name: propan-2-yl 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate bromide Traditional Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid isopropyl ester bromide Formula: C14H18BrNO2S2 MolecularWeight: 376.33222

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)OC(C)C.[Br-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)OC(C)C.[Br-]

InChI

InChI=1S/C14H18NO2S2.BrH/c1-4-15-11-7-5-6-8-12(11)19-14(15)18-9-13(16)17-10(2)3;/h5-8,10H,4,9H2,1-3H3;1H/q+1;/p-1