methyl (2S)-2-[(6-methyl-4-oxidanylidene-1-phenyl-pyridazin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(6-methyl-4-oxidanylidene-1-phenyl-pyridazin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(6-methyl-4-oxo-1-phenyl-pyridazine-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(6-methyl-4-oxo-1-phenyl-3-pyridazinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-keto-6-methyl-1-phenyl-pyridazine-3-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-12-11-15(22)16(20-21(12)13-7-5-4-6-8-13)17(23)19-14(9-10-26-3)18(24)25-2/h4-8,11,14H,9-10H2,1-3H3,(H,19,23)/t14-/m0/s1