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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-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-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H20N4O5S/c1-28-11-10-21-18(25)12-30-17-9-5-3-7-15(17)20(27)29-13-24-19(26)14-6-2-4-8-16(14)22-23-24/h2-9H,10-13H2,1H3,(H,21,25)