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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl thiophene-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl thiophene-3-carboxylate Traditional Name: thiophene-3-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=CSC=C3

Isomeric SMILES

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

InChI

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