methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)N2C(=O)NC3=CC=CC=C3N2O)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)N2C(=O)NC3=CC=CC=C3N2O)C(=O)OC)C

InChI

InChI=1S/C19H22N4O5S/c1-5-21(6-2)16(24)15-11(3)14(18(25)28-4)17(29-15)22-19(26)20-12-9-7-8-10-13(12)23(22)27/h7-10,27H,5-6H2,1-4H3,(H,20,26)