(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O5S2/c1-29-12-11-17(21-30(26,27)14-7-3-2-4-8-14)19(25)28-13-23-18(24)15-9-5-6-10-16(15)20-22-23/h2-10,17,21H,11-13H2,1H3/t17-/m0/s1