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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4S/c1-23-15(22)12(7-8-24-2)16-13(20)9-19-14(21)10-5-3-4-6-11(10)17-18-19/h3-6,12H,7-9H2,1-2H3,(H,16,20)/t12-/m0/s1