dimethyl 3-methyl-5-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)OC

InChI

InChI=1S/C18H16N4O6S/c1-9-13(17(25)27-2)15(29-14(9)18(26)28-3)19-12(23)8-22-16(24)10-6-4-5-7-11(10)20-21-22/h4-7H,8H2,1-3H3,(H,19,23)