[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl pyridine-4-carboxylate

Systemtic Name: [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl pyridine-4-carboxylate Openeye Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C14H10N2O5S MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C14H10N2O5S/c17-13-11-3-1-2-4-12(11)22(19,20)16(13)9-21-14(18)10-5-7-15-8-6-10/h1-8H,9H2