5-[5-(4-oxidanyl-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-(4-oxidanyl-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]thiophene-2-carboxylic acid Openeye Name: 5-[5-(4-hydroxy-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]thiophene-2-carboxylic acid CAS Name: 5-[5-(4-hydroxy-1-oxo-2-phenylbutyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-(4-hydroxy-2-phenylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]thiophene-2-carboxylic acid Traditional Name: 5-[5-(4-hydroxy-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-2-thenoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)C(CCO)C3=CC=CC=C3)NN=C2C4=CC=C(S4)C(=O)O

Isomeric SMILES

C1C2=C(CN1C(=O)C(CCO)C3=CC=CC=C3)NN=C2C4=CC=C(S4)C(=O)O

InChI

InChI=1S/C20H19N3O4S/c24-9-8-13(12-4-2-1-3-5-12)19(25)23-10-14-15(11-23)21-22-18(14)16-6-7-17(28-16)20(26)27/h1-7,13,24H,8-11H2,(H,21,22)(H,26,27)