6,10-bis(oxidanylidene)-7-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxylic acid

Systemtic Name: 6,10-bis(oxidanylidene)-7-[(3-phenyl-2-sulfanylidene-propanoyl)amino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxylic acid Openeye Name: 6,10-dioxo-7-[(3-phenyl-2-thioxo-propanoyl)amino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acid CAS Name: 6,10-dioxo-7-[(1-oxo-3-phenyl-2-sulfanylidenepropyl)amino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acid IUPAC Name: 6,10-dioxo-7-[(3-phenyl-2-sulfanylidenepropanoyl)amino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acid Traditional Name: 6,10-diketo-7-[(3-phenyl-2-thioxo-propanoyl)amino]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c23-16-9-8-13(18(25)22-14(19(26)27)7-4-10-21(16)22)20-17(24)15(28)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,20,24)(H,26,27)