acetamido 5-[(3-methylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: acetamido 5-[(3-methylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxylate Openeye Name: acetamido 5-[(3-methylsulfonylphenyl)methyl]thiazole-4-carboxylate CAS Name: 5-[(3-methylsulfonylphenyl)methyl]-4-thiazolecarboxylic acid acetamido ester IUPAC Name: acetamido 5-[(3-methylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 5-(3-mesylbenzyl)thiazole-4-carboxylic acid acetamido ester Formula: C14H14N2O5S2 MolecularWeight: 354.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)C1=C(SC=N1)CC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)NOC(=O)C1=C(SC=N1)CC2=CC(=CC=C2)S(=O)(=O)C

InChI

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