5-(5-chloranylthiophen-2-yl)-5-(methylsulfonylcarbamoyl)-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-5-(methylsulfonylcarbamoyl)-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(methylsulfonylcarbamoyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-2-(3-isoxazolylmethyl)-5-[methanesulfonamido(oxo)methyl]-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-5-(methylsulfonylcarbamoyl)-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(mesylcarbamoyl)-3-pyrazoline-3-carboxylic acid Formula: C14H13ClN4O6S2 MolecularWeight: 432.85922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1(C=C(N(N1)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

Isomeric SMILES

CS(=O)(=O)NC(=O)C1(C=C(N(N1)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

InChI

InChI=1S/C14H13ClN4O6S2/c1-27(23,24)17-13(22)14(10-2-3-11(15)26-10)6-9(12(20)21)19(18-14)7-8-4-5-25-16-8/h2-6,18H,7H2,1H3,(H,17,22)(H,20,21)