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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-(3-oxidanylpyrrolidin-1-yl)carbonyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-5-(3-hydroxypyrrolidine-1-carbonyl)-2-(isoxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-5-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]-2-(3-isoxazolylmethyl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-5-(3-hydroxypyrrolidine-1-carbonyl)-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-5-(3-hydroxypyrrolidine-1-carbonyl)-2-(isoxazol-3-ylmethyl)-3-pyrazoline-3-carboxylic acid Formula: C17H17ClN4O5S MolecularWeight: 424.85868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC1O)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

InChI

InChI=1S/C17H17ClN4O5S/c18-14-2-1-13(28-14)17(16(26)21-5-3-11(23)9-21)7-12(15(24)25)22(20-17)8-10-4-6-27-19-10/h1-2,4,6-7,11,20,23H,3,5,8-9H2,(H,24,25)