ethyl 2-[2-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-3-ium-5-yl]ethanoate chloride

Systemtic Name: ethyl 2-[2-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-3-ium-5-yl]ethanoate chloride Openeye Name: ethyl 2-[2-(2-amino-2-oxo-ethyl)thiazol-3-ium-5-yl]acetate chloride CAS Name: 2-[2-(2-amino-2-oxoethyl)-5-thiazol-3-iumyl]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[2-(2-amino-2-oxoethyl)-1,3-thiazol-3-ium-5-yl]acetate chloride Traditional Name: 2-[2-(2-amino-2-keto-ethyl)thiazol-3-ium-5-yl]acetic acid ethyl ester chloride Formula: C9H13ClN2O3S MolecularWeight: 264.72912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C[NH+]=C(S1)CC(=O)N.[Cl-]

Isomeric SMILES

CCOC(=O)CC1=C[NH+]=C(S1)CC(=O)N.[Cl-]

InChI

InChI=1S/C9H12N2O3S.ClH/c1-2-14-9(13)3-6-5-11-8(15-6)4-7(10)12;/h5H,2-4H2,1H3,(H2,10,12);1H