methyl (2S)-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-(4-keto-3H-phthalazin-1-yl)-2-methyl-phenyl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C22H24N4O4S/c1-13-8-9-14(19-15-6-4-5-7-16(15)20(27)26-25-19)12-18(13)24-22(29)23-17(10-11-31-3)21(28)30-2/h4-9,12,17H,10-11H2,1-3H3,(H,26,27)(H2,23,24,29)/t17-/m0/s1