2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]acetate CAS Name: 2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]acetate IUPAC Name: 2-[[(2S)-4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]amino]acetate Formula: C14H15N4O4S- MolecularWeight: 335.3583

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CSCC[C@@H](C(=O)NCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H16N4O4S/c1-23-7-6-11(13(21)15-8-12(19)20)18-14(22)9-4-2-3-5-10(9)16-17-18/h2-5,11H,6-8H2,1H3,(H,15,21)(H,19,20)/p-1/t11-/m0/s1