(2-butyl-1-methyl-5-methylsulfanyl-imidazol-4-yl) hydrogen carbonate

Systemtic Name: (2-butyl-1-methyl-5-methylsulfanyl-imidazol-4-yl) hydrogen carbonate Openeye Name: (2-butyl-1-methyl-5-methylsulfanyl-imidazol-4-yl) hydrogen carbonate CAS Name: carbonic acid [2-butyl-1-methyl-5-(methylthio)-4-imidazolyl] ester IUPAC Name: (2-butyl-1-methyl-5-methylsulfanylimidazol-4-yl) hydrogen carbonate Traditional Name: carbonic acid [2-butyl-1-methyl-5-(methylthio)imidazol-4-yl] ester Formula: C10H16N2O3S MolecularWeight: 244.31064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C)SC)OC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1C)SC)OC(=O)O

InChI

InChI=1S/C10H16N2O3S/c1-4-5-6-7-11-8(15-10(13)14)9(16-3)12(7)2/h4-6H2,1-3H3,(H,13,14)