4-methylsulfanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C14H16N4O4S MolecularWeight: 336.36624

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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

CSCCC(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)