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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-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-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H17N3O3S2/c23-17-15-4-1-2-5-16(15)20-21-22(17)12-25-18(24)13-6-8-14(9-7-13)19-26-10-3-11-27-19/h1-2,4-9,19H,3,10-12H2