ethyl 2-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(1-methyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-4-ium-2-yl)thio]acetic acid ethyl ester Formula: C11H17N2O2S+ MolecularWeight: 241.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C[N+]2=C(N1C)CCC2

Isomeric SMILES

CCOC(=O)CSC1=C[N+]2=C(N1C)CCC2

InChI

InChI=1S/C11H17N2O2S/c1-3-15-11(14)8-16-10-7-13-6-4-5-9(13)12(10)2/h7H,3-6,8H2,1-2H3/q+1