2-[2-[2-(diethylazaniumyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-[2-(diethylazaniumyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-[2-(diethylammonio)ethylsulfanyl]-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[2-(diethylammonio)ethylthio]-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-[2-(diethylazaniumyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[2-(diethylammonio)ethylthio]-4-methyl-thiazol-5-yl]acetate Formula: C12H20N2O2S2 MolecularWeight: 288.4294

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=C(S1)CC(=O)[O-])C

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=C(S1)CC(=O)[O-])C

InChI

InChI=1S/C12H20N2O2S2/c1-4-14(5-2)6-7-17-12-13-9(3)10(18-12)8-11(15)16/h4-8H2,1-3H3,(H,15,16)