(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H15N3O3S/c25-20-16-7-3-4-8-17(16)22-23-24(20)12-27-21(26)18-11-14-10-9-13-5-1-2-6-15(13)19(14)28-18/h1-8,11H,9-10,12H2