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

Systemtic Name: 4-[[[4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CSCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H26N4O4S/c1-29-11-10-17(24-19(26)15-4-2-3-5-16(15)22-23-24)18(25)21-12-13-6-8-14(9-7-13)20(27)28/h2-5,13-14,17H,6-12H2,1H3,(H,21,25)(H,27,28)