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

Systemtic Name: 1-[4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]proline Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H20N4O4S/c1-26-10-8-13(16(23)20-9-4-7-14(20)17(24)25)21-15(22)11-5-2-3-6-12(11)18-19-21/h2-3,5-6,13-14H,4,7-10H2,1H3,(H,24,25)