pyridin-2-ylmethyl 4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]benzoate

Systemtic Name: pyridin-2-ylmethyl 4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]benzoate Openeye Name: 2-pyridylmethyl 4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoate CAS Name: 4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoate Traditional Name: 4-[(1,1,4-triketo-1,2,5-thiadiazolidin-2-yl)methyl]benzoic acid 2-pyridylmethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NS(=O)(=O)N1CC2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1C(=O)NS(=O)(=O)N1CC2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C16H15N3O5S/c20-15-10-19(25(22,23)18-15)9-12-4-6-13(7-5-12)16(21)24-11-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,20)