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

Systemtic Name: methyl 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)N3C(=O)NC4=CC=CC=C4N3O

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)N3C(=O)NC4=CC=CC=C4N3O

InChI

InChI=1S/C19H15N3O4S/c1-26-18(23)16-13(12-7-3-2-4-8-12)11-27-17(16)21-19(24)20-14-9-5-6-10-15(14)22(21)25/h2-11,25H,1H3,(H,20,24)