ethyl 2-[2-(2-morpholin-4-ium-4-ylethanoylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-morpholin-4-ium-4-ylethanoylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C[NH+]2CCOCC2

InChI

InChI=1S/C13H19N3O4S/c1-2-20-12(18)7-10-9-21-13(14-10)15-11(17)8-16-3-5-19-6-4-16/h9H,2-8H2,1H3,(H,14,15,17)/p+1