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

Systemtic Name: ethyl 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-2-27-19(24)17-14(13-8-4-3-5-9-13)12-28-18(17)22-20(25)21-15-10-6-7-11-16(15)23(22)26/h3-12,26H,2H2,1H3,(H,21,25)