ethyl 2-[3-chloranyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]ethanoate iodide

Systemtic Name: ethyl 2-[3-chloranyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]ethanoate iodide Openeye Name: ethyl 2-[3-chloro-4-[(3-methylthiazol-3-ium-2-yl)amino]phenyl]acetate iodide CAS Name: 2-[3-chloro-4-[(3-methyl-2-thiazol-3-iumyl)amino]phenyl]acetic acid ethyl ester iodide IUPAC Name: ethyl 2-[3-chloro-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]acetate iodide Traditional Name: 2-[3-chloro-4-[(3-methylthiazol-3-ium-2-yl)amino]phenyl]acetic acid ethyl ester iodide Formula: C14H16ClIN2O2S MolecularWeight: 438.71151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=C(C=C1)NC2=[N+](C=CS2)C)Cl.[I-]

Isomeric SMILES

CCOC(=O)CC1=CC(=C(C=C1)NC2=[N+](C=CS2)C)Cl.[I-]

InChI

InChI=1S/C14H15ClN2O2S.HI/c1-3-19-13(18)9-10-4-5-12(11(15)8-10)16-14-17(2)6-7-20-14;/h4-8H,3,9H2,1-2H3;1H