(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl thiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl thiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CS3

InChI

InChI=1S/C13H9N3O3S/c17-12-9-4-1-2-5-10(9)14-15-16(12)8-19-13(18)11-6-3-7-20-11/h1-7H,8H2