7-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenyl-propanoyl]amino]-6,9-bis(oxidanylidene)-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid

Systemtic Name: 7-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenyl-propanoyl]amino]-6,9-bis(oxidanylidene)-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Openeye Name: 7-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenyl-propanoyl]amino]-6,9-dioxo-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid CAS Name: 7-[[2-[(2,2-dimethyl-1-oxopropoxy)methylthio]-1-oxo-3-phenylpropyl]amino]-6,9-dioxo-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid IUPAC Name: 7-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenylpropanoyl]amino]-6,9-dioxo-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Traditional Name: 6,9-diketo-7-[[3-phenyl-2-(pivaloyloxymethylthio)propanoyl]amino]-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCSC(CC1=CC=CC=C1)C(=O)NC2CC(=O)N3CC=CC(N3C2=O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OCSC(CC1=CC=CC=C1)C(=O)NC2CC(=O)N3CC=CC(N3C2=O)C(=O)O

InChI

InChI=1S/C24H29N3O7S/c1-24(2,3)23(33)34-14-35-18(12-15-8-5-4-6-9-15)20(29)25-16-13-19(28)26-11-7-10-17(22(31)32)27(26)21(16)30/h4-10,16-18H,11-14H2,1-3H3,(H,25,29)(H,31,32)