2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-3-oxidanylidene-1,2,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid

Systemtic Name: 2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-3-oxidanylidene-1,2,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid Openeye Name: 2-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-3-oxo-1,2,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid CAS Name: 2-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-3-oxo-1,2,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid IUPAC Name: 2-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-3-oxo-1,2,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid Traditional Name: 2-[[2-(acetylthio)-3-phenyl-propanoyl]amino]-3-keto-1,2,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CN3CCCC(N3C2=O)C(=O)O

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CN3CCCC(N3C2=O)C(=O)O

InChI

InChI=1S/C19H23N3O5S/c1-12(23)28-16(10-13-6-3-2-4-7-13)17(24)20-14-11-21-9-5-8-15(19(26)27)22(21)18(14)25/h2-4,6-7,14-16H,5,8-11H2,1H3,(H,20,24)(H,26,27)