2-chloranyl-5-(5-ethoxycarbonyl-3-thiophen-2-yl-pyrazol-1-yl)benzoic acid

Systemtic Name: 2-chloranyl-5-(5-ethoxycarbonyl-3-thiophen-2-yl-pyrazol-1-yl)benzoic acid Openeye Name: 2-chloro-5-[5-ethoxycarbonyl-3-(2-thienyl)pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-(5-ethoxycarbonyl-3-thiophen-2-yl-1-pyrazolyl)benzoic acid IUPAC Name: 2-chloro-5-(5-ethoxycarbonyl-3-thiophen-2-ylpyrazol-1-yl)benzoic acid Traditional Name: 5-[5-carbethoxy-3-(2-thienyl)pyrazol-1-yl]-2-chloro-benzoic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C17H13ClN2O4S/c1-2-24-17(23)14-9-13(15-4-3-7-25-15)19-20(14)10-5-6-12(18)11(8-10)16(21)22/h3-9H,2H2,1H3,(H,21,22)