methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]thiazole-5-carboxylate CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-mesylbenzoyl)amino]thiazole-5-carboxylic acid methyl ester Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C13H12N2O5S2/c1-20-12(17)10-7-14-13(21-10)15-11(16)8-4-3-5-9(6-8)22(2,18)19/h3-7H,1-2H3,(H,14,15,16)