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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl pyridine-4-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5S/c18-14-12-3-1-2-4-13(12)23(20,21)17(14)9-10-22-15(19)11-5-7-16-8-6-11/h1-8H,9-10H2