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

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-propanoyl]amino]-4-oxidanylidene-6,7,8,9-tetrahydro-3H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Openeye Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-thioxo-propanoyl]amino]-4-oxo-6,7,8,9-tetrahydro-3H-pyridazino[1,2-a]pyridazine-6-carboxylic acid CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxo-2-sulfanylidenepropyl]amino]-4-oxo-6,7,8,9-tetrahydro-3H-pyridazino[1,2-a]pyridazine-6-carboxylic acid IUPAC Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoyl]amino]-4-oxo-6,7,8,9-tetrahydro-3H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)-2-thioxo-propanoyl]amino]-4-keto-6,7,8,9-tetrahydro-3H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C(=O)C(C=CN2C1)NC(=O)C(=S)CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(N2C(=O)C(C=CN2C1)NC(=O)C(=S)CC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H19N3O6S/c23-17(16(29)9-11-3-4-14-15(8-11)28-10-27-14)20-12-5-7-21-6-1-2-13(19(25)26)22(21)18(12)24/h3-5,7-8,12-13H,1-2,6,9-10H2,(H,20,23)(H,25,26)