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

Systemtic Name: 3-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoate Openeye Name: 3-[[(2S)-4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoate CAS Name: 3-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]propanoate IUPAC Name: 3-[[(2S)-4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]amino]propionate Formula: C15H17N4O4S- MolecularWeight: 349.38488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S/c1-24-9-7-12(14(22)16-8-6-13(20)21)19-15(23)10-4-2-3-5-11(10)17-18-19/h2-5,12H,6-9H2,1H3,(H,16,22)(H,20,21)/p-1/t12-/m0/s1