1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-pyrrolidin-1-ylcarbonyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-pyrrolidin-1-ylcarbonyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-(pyrrolidine-1-carbonyl)pyrazole-3-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(pyrrolidine-1-carbonyl)pyrazole-3-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-(pyrrolidine-1-carbonyl)pyrazole-3-carboxylic acid Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=NN2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=NN2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C17H15ClN4O4S/c18-15-4-3-14(27-15)13-7-10(20-26-13)9-22-12(8-11(19-22)17(24)25)16(23)21-5-1-2-6-21/h3-4,7-8H,1-2,5-6,9H2,(H,24,25)