3-[(5-oxidanylidene-3-thiophen-2-yl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(5-oxidanylidene-3-thiophen-2-yl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)carbonylamino]benzoic acid Openeye Name: 3-[[5-oxo-3-(2-thienyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]benzoic acid CAS Name: 3-[[oxo-(5-oxo-3-thiophen-2-yl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]amino]benzoic acid IUPAC Name: 3-[(5-oxo-3-thiophen-2-yl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]benzoic acid Traditional Name: 3-[[5-keto-3-(2-thienyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]benzoic acid Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N2C(=NC1=O)C(=CN2)C3=CC=CS3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C(N2C(=NC1=O)C(=CN2)C3=CC=CS3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H14N4O4S/c23-15-8-13(17(24)20-11-4-1-3-10(7-11)18(25)26)22-16(21-15)12(9-19-22)14-5-2-6-27-14/h1-7,9,13,19H,8H2,(H,20,24)(H,25,26)