4-(3-methoxycarbonyl-5-thiophen-2-yl-pyrazol-1-yl)benzoate

Systemtic Name: 4-(3-methoxycarbonyl-5-thiophen-2-yl-pyrazol-1-yl)benzoate Openeye Name: 4-[3-methoxycarbonyl-5-(2-thienyl)pyrazol-1-yl]benzoate CAS Name: 4-(3-methoxycarbonyl-5-thiophen-2-yl-1-pyrazolyl)benzoate IUPAC Name: 4-(3-methoxycarbonyl-5-thiophen-2-ylpyrazol-1-yl)benzoate Traditional Name: 4-[3-carbomethoxy-5-(2-thienyl)pyrazol-1-yl]benzoate Formula: C16H11N2O4S- MolecularWeight: 327.33454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=CS2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=CS2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-22-16(21)12-9-13(14-3-2-8-23-14)18(17-12)11-6-4-10(5-7-11)15(19)20/h2-9H,1H3,(H,19,20)/p-1