3-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid

Systemtic Name: 3-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Openeye Name: 3-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid CAS Name: 3-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid IUPAC Name: 3-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Traditional Name: 3-[[2-(acetylthio)-3-phenyl-propanoyl]amino]-4-keto-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCN3CCCC(N3C2=O)C(=O)O

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCN3CCCC(N3C2=O)C(=O)O

InChI

InChI=1S/C20H25N3O5S/c1-13(24)29-17(12-14-6-3-2-4-7-14)18(25)21-15-9-11-22-10-5-8-16(20(27)28)23(22)19(15)26/h2-4,6-7,15-17H,5,8-12H2,1H3,(H,21,25)(H,27,28)