4-methylsulfanyl-2-[(2,5,6-trimethyl-3-oxidanylidene-pyridazin-4-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2,5,6-trimethyl-3-oxidanylidene-pyridazin-4-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(2,5,6-trimethyl-3-oxo-4-pyridazinyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoic acid Traditional Name: 2-[(3-keto-2,5,6-trimethyl-pyridazine-4-carbonyl)amino]-4-(methylthio)butyric acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H19N3O4S/c1-7-8(2)15-16(3)12(18)10(7)11(17)14-9(13(19)20)5-6-21-4/h9H,5-6H2,1-4H3,(H,14,17)(H,19,20)