ethyl 2-azanyl-3,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate

Systemtic Name: ethyl 2-azanyl-3,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate Openeye Name: ethyl 2-amino-3,4-dimethyl-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate CAS Name: 2-amino-3,4-dimethyl-5-thiazol-3-iumcarboxylic acid ethyl ester; 4-methylbenzenesulfonate IUPAC Name: ethyl 2-amino-3,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate Traditional Name: 2-amino-3,4-dimethyl-thiazol-3-ium-5-carboxylic acid ethyl ester tosylate Formula: C15H20N2O5S2 MolecularWeight: 372.4597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(S1)N)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(S1)N)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H12N2O2S.C7H8O3S/c1-4-12-7(11)6-5(2)10(3)8(9)13-6;1-6-2-4-7(5-3-6)11(8,9)10/h9H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)