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

Systemtic Name: ethyl 4-azanyl-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-5-carboxylate; methyl sulfate Openeye Name: ethyl 4-amino-2-methylsulfanyl-3-phenyl-thiazol-3-ium-5-carboxylate; methyl sulfate CAS Name: 4-amino-2-(methylthio)-3-phenyl-5-thiazol-3-iumcarboxylic acid ethyl ester; methyl sulfate IUPAC Name: ethyl 4-amino-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-5-carboxylate; methyl sulfate Traditional Name: 4-amino-2-(methylthio)-3-phenyl-thiazol-3-ium-5-carboxylic acid ethyl ester; methyl sulfate Formula: C14H18N2O6S3 MolecularWeight: 406.49752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S2.CH4O4S/c1-3-17-12(16)10-11(14)15(13(18-2)19-10)9-7-5-4-6-8-9;1-5-6(2,3)4/h4-8H,3H2,1-2H3,(H-,14,16);1H3,(H,2,3,4)