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

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoate Openeye Name: (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]butanoate IUPAC Name: (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)butyrate Formula: C14H15N4O4S- MolecularWeight: 335.3583

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

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