(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18N4O4S/c1-22(2)17(24)11-28-16-10-6-4-8-14(16)19(26)27-12-23-18(25)13-7-3-5-9-15(13)20-21-23/h3-10H,11-12H2,1-2H3