(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H14N4O4S/c25-18(17-6-3-11-29-17)21-14-9-7-13(8-10-14)20(27)28-12-24-19(26)15-4-1-2-5-16(15)22-23-24/h1-11H,12H2,(H,21,25)