methyl (2S)-2-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H20N2O5S/c1-24-17(23)13(7-8-25-2)18-14(20)10-19-15(21)9-11-5-3-4-6-12(11)16(19)22/h3-6,13H,7-10H2,1-2H3,(H,18,20)/t13-/m0/s1