(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H14FN3O4S MolecularWeight: 399.395563

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H14FN3O4S/c1-26-9-12-16-13(20)6-4-8-15(16)28-17(12)19(25)27-10-23-18(24)11-5-2-3-7-14(11)21-22-23/h2-8H,9-10H2,1H3