2-(3-acetamido-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl ethanoate; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-(3-acetamido-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl ethanoate; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-(3-acetamido-4-methyl-thiazol-3-ium-5-yl)ethyl acetate; 2,4,6-trimethylbenzenesulfonate CAS Name: acetic acid 2-(3-acetamido-4-methyl-5-thiazol-3-iumyl)ethyl ester; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-(3-acetamido-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl acetate; 2,4,6-trimethylbenzenesulfonate Traditional Name: acetic acid 2-(3-acetamido-4-methyl-thiazol-3-ium-5-yl)ethyl ester; 2,4,6-trimethylbesylate Formula: C19H26N2O6S2 MolecularWeight: 442.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=C(SC=[N+]1NC(=O)C)CCOC(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=C(SC=[N+]1NC(=O)C)CCOC(=O)C

InChI

InChI=1S/C10H14N2O3S.C9H12O3S/c1-7-10(4-5-15-9(3)14)16-6-12(7)11-8(2)13;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h6H,4-5H2,1-3H3;4-5H,1-3H3,(H,10,11,12)