ethyl 4-[2-azanyl-4-(5-methyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)-1,3-thiazol-3-ium-5-yl]butanoate

Systemtic Name: ethyl 4-[2-azanyl-4-(5-methyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)-1,3-thiazol-3-ium-5-yl]butanoate Openeye Name: ethyl 4-[2-amino-4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)thiazol-3-ium-5-yl]butanoate CAS Name: 4-[2-amino-4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-5-thiazol-3-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-amino-4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-thiazol-3-ium-5-yl]butanoate Traditional Name: 4-[2-amino-4-(2-keto-5-methyl-4-imidazolin-4-yl)thiazol-3-ium-5-yl]butyric acid ethyl ester Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C([NH+]=C(S1)N)C2=C(NC(=O)N2)C

Isomeric SMILES

CCOC(=O)CCCC1=C([NH+]=C(S1)N)C2=C(NC(=O)N2)C

InChI

InChI=1S/C13H18N4O3S/c1-3-20-9(18)6-4-5-8-11(16-12(14)21-8)10-7(2)15-13(19)17-10/h3-6H2,1-2H3,(H2,14,16)(H2,15,17,19)/p+1