methyl (2R)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H19N3O4S/c1-19-15(21)11-7-5-4-6-10(11)13(18-19)14(20)17-12(8-9-24-3)16(22)23-2/h4-7,12H,8-9H2,1-3H3,(H,17,20)/t12-/m1/s1