2-(3-acetamido-4-methyl-2H-1,3-thiazol-5-yl)ethyl ethanoate; (3,5-dimethylphenyl)methanesulfonic acid

Systemtic Name: 2-(3-acetamido-4-methyl-2H-1,3-thiazol-5-yl)ethyl ethanoate; (3,5-dimethylphenyl)methanesulfonic acid Openeye Name: 2-(3-acetamido-4-methyl-2H-thiazol-5-yl)ethyl acetate; (3,5-dimethylphenyl)methanesulfonic acid CAS Name: acetic acid 2-(3-acetamido-4-methyl-2H-thiazol-5-yl)ethyl ester; (3,5-dimethylphenyl)methanesulfonic acid IUPAC Name: 2-(3-acetamido-4-methyl-2H-1,3-thiazol-5-yl)ethyl acetate; (3,5-dimethylphenyl)methanesulfonic acid Traditional Name: acetic acid 2-(3-acetamido-4-methyl-4-thiazolin-5-yl)ethyl ester; (3,5-dimethylphenyl)methanesulfonic acid Formula: C19H28N2O6S2 MolecularWeight: 444.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)O)C.CC1=C(SCN1NC(=O)C)CCOC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)O)C.CC1=C(SCN1NC(=O)C)CCOC(=O)C

InChI

InChI=1S/C10H16N2O3S.C9H12O3S/c1-7-10(4-5-15-9(3)14)16-6-12(7)11-8(2)13;1-7-3-8(2)5-9(4-7)6-13(10,11)12/h4-6H2,1-3H3,(H,11,13);3-5H,6H2,1-2H3,(H,10,11,12)