ethyl 4-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiazole-5-carboxylic acid ethyl ester Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C[NH+]2CCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C[NH+]2CCCC2)C

InChI

InChI=1S/C13H19N3O3S/c1-3-19-12(18)11-9(2)14-13(20-11)15-10(17)8-16-6-4-5-7-16/h3-8H2,1-2H3,(H,14,15,17)/p+1