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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15N3O3S2/c22-16-14-3-1-2-4-15(14)19-20-21(16)11-24-17(23)12-5-7-13(8-6-12)18-25-9-10-26-18/h1-8,18H,9-11H2