methyl 4-methylsulfanyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate Traditional Name: 2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H19N3O4S/c1-23-16(22)12(7-8-24-2)17-14(20)9-13-10-5-3-4-6-11(10)15(21)19-18-13/h3-6,12H,7-9H2,1-2H3,(H,17,20)(H,19,21)