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

Systemtic Name: ethyl 4-azanyl-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-5-carboxylate Openeye Name: ethyl 4-amino-2-methylsulfanyl-3-phenyl-thiazol-3-ium-5-carboxylate CAS Name: 4-amino-2-(methylthio)-3-phenyl-5-thiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-5-carboxylate Traditional Name: 4-amino-2-(methylthio)-3-phenyl-thiazol-3-ium-5-carboxylic acid ethyl ester Formula: C13H15N2O2S2+ MolecularWeight: 295.4004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S2/c1-3-17-12(16)10-11(14)15(13(18-2)19-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H-,14,16)/p+1