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

Systemtic Name: 2-[[4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]ethanoic acid Openeye Name: 2-[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]acetic acid CAS Name: 2-[[4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]acetic acid IUPAC Name: 2-[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]acetic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]amino]acetic acid Formula: C14H16N4O4S MolecularWeight: 336.36624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CSCCC(C(=O)NCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

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