2-[4-methyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-methyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5-thiazolyl]acetate IUPAC Name: 2-[4-methyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-methyl-2-(2-pyrrolidin-1-ium-1-ylethylthio)thiazol-5-yl]acetate Formula: C12H18N2O2S2 MolecularWeight: 286.41352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC[NH+]2CCCC2)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SCC[NH+]2CCCC2)CC(=O)[O-]

InChI

InChI=1S/C12H18N2O2S2/c1-9-10(8-11(15)16)18-12(13-9)17-7-6-14-4-2-3-5-14/h2-8H2,1H3,(H,15,16)