(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3

InChI

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