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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-5-(3-methylsulfonylpyrrolidin-1-yl)carbonyl-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(3-methylsulfonylpyrrolidine-1-carbonyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-2-(3-isoxazolylmethyl)-5-[(3-methylsulfonyl-1-pyrrolidinyl)-oxomethyl]-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-5-(3-methylsulfonylpyrrolidine-1-carbonyl)-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(3-mesylpyrrolidine-1-carbonyl)-3-pyrazoline-3-carboxylic acid Formula: C18H19ClN4O6S2 MolecularWeight: 486.94966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCN(C1)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

Isomeric SMILES

CS(=O)(=O)C1CCN(C1)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H19ClN4O6S2/c1-31(27,28)12-4-6-22(10-12)17(26)18(14-2-3-15(19)30-14)8-13(16(24)25)23(21-18)9-11-5-7-29-20-11/h2-3,5,7-8,12,21H,4,6,9-10H2,1H3,(H,24,25)