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

Systemtic Name: 7-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-6,9-bis(oxidanylidene)-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Openeye Name: 7-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-6,9-dioxo-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid CAS Name: 7-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-6,9-dioxo-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid IUPAC Name: 7-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-6,9-dioxo-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Traditional Name: 7-[[2-(acetylthio)-3-phenyl-propanoyl]amino]-6,9-diketo-1,4,7,8-tetrahydropyridazino[1,2-a]pyridazine-4-carboxylic acid Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S/c1-12(24)30-16(10-13-6-3-2-4-7-13)18(26)21-14-11-17(25)22-9-5-8-15(20(28)29)23(22)19(14)27/h2-8,14-16H,9-11H2,1H3,(H,21,26)(H,28,29)