ethyl 2-azanyl-4-phenyl-1,3-thiazol-3-ium-5-carboxylate

Systemtic Name: ethyl 2-azanyl-4-phenyl-1,3-thiazol-3-ium-5-carboxylate Openeye Name: ethyl 2-amino-4-phenyl-thiazol-3-ium-5-carboxylate CAS Name: 2-amino-4-phenyl-5-thiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-phenyl-1,3-thiazol-3-ium-5-carboxylate Traditional Name: 2-amino-4-phenyl-thiazol-3-ium-5-carboxylic acid ethyl ester Formula: C12H13N2O2S+ MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(S1)N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(S1)N)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)/p+1