4-methylsulfanyl-2-[(6-oxidanylidene-1-propyl-pyridazin-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(6-oxidanylidene-1-propyl-pyridazin-3-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(6-oxo-1-propyl-pyridazine-3-carbonyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(6-oxo-1-propyl-3-pyridazinyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid Traditional Name: 2-[(6-keto-1-propyl-pyridazine-3-carbonyl)amino]-4-(methylthio)butyric acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H19N3O4S/c1-3-7-16-11(17)5-4-9(15-16)12(18)14-10(13(19)20)6-8-21-2/h4-5,10H,3,6-8H2,1-2H3,(H,14,18)(H,19,20)