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

Systemtic Name: ethyl 2-[3-chloranyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]ethanoate Openeye Name: ethyl 2-[3-chloro-4-[(3-methylthiazol-3-ium-2-yl)amino]phenyl]acetate CAS Name: 2-[3-chloro-4-[(3-methyl-2-thiazol-3-iumyl)amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-chloro-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]acetate Traditional Name: 2-[3-chloro-4-[(3-methylthiazol-3-ium-2-yl)amino]phenyl]acetic acid ethyl ester Formula: C14H16ClN2O2S+ MolecularWeight: 311.80704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O2S/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/p+1