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

Systemtic Name: 4-methylsulfanyl-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]butanoic acid Traditional Name: 2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]-4-(methylthio)butyric acid Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O4S/c1-25-10-8-13(16(23)24)17-14(21)7-4-9-20-15(22)11-5-2-3-6-12(11)18-19-20/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,21)(H,23,24)