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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N3O3S2/c1-23-14-10(5-4-8-17-14)15(21)22-9-13(20)19-16-18-11-6-2-3-7-12(11)24-16/h2-8H,9H2,1H3,(H,18,19,20)