(2-acetamido-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C14H14N2O5S2 MolecularWeight: 354.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H14N2O5S2/c1-9(17)15-14-16-11(8-22-14)7-21-13(18)10-4-3-5-12(6-10)23(2,19)20/h3-6,8H,7H2,1-2H3,(H,15,16,17)