3-[[3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-propanoyl]amino]-1,4-bis(oxidanylidene)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxylic acid

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-propanoyl]amino]-1,4-bis(oxidanylidene)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxylic acid Openeye Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-thioxo-propanoyl]amino]-1,4-dioxo-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxylic acid CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxo-2-sulfanylidenepropyl]amino]-1,4-dioxo-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxylic acid IUPAC Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoyl]amino]-1,4-dioxo-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxylic acid Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-thioxo-propanoyl]amino]-1,4-diketo-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxylic acid Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C(=O)C(CC(=O)N2C1)NC(=O)C(=S)CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(N2C(=O)C(CC(=O)N2C1)NC(=O)C(=S)CC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H19N3O7S/c23-16-8-11(18(25)22-12(19(26)27)2-1-5-21(16)22)20-17(24)15(30)7-10-3-4-13-14(6-10)29-9-28-13/h3-4,6,11-12H,1-2,5,7-9H2,(H,20,24)(H,26,27)