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

Systemtic Name: 4-methylsulfanyl-2-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]-4-(methylthio)butyric acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H20N4O4S/c1-29-12-11-16(20(27)28)21-18(25)17(13-7-3-2-4-8-13)24-19(26)14-9-5-6-10-15(14)22-23-24/h2-10,16-17H,11-12H2,1H3,(H,21,25)(H,27,28)