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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-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 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H14N2O5S2/c1-24-14-12(6-4-8-17-14)16(20)23-10-9-18-15(19)11-5-2-3-7-13(11)25(18,21)22/h2-8H,9-10H2,1H3