methyl 2-methyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-3-carboxylate Openeye Name: methyl 2-methyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-3-carboxylate Traditional Name: 5-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C15H14N4O5S2 MolecularWeight: 394.42546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CN1C(=CC(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C15H14N4O5S2/c1-19-11(14(21)24-2)7-10(18-19)13(20)17-15-16-9-5-4-8(26(3,22)23)6-12(9)25-15/h4-7H,1-3H3,(H,16,17,20)