ethyl 6-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-(1,3-benzothiazol-2-ylmethylthio)-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-(1,3-benzothiazol-2-ylmethylthio)-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H15N3O2S2/c1-3-23-18(22)13-8-12(9-19)17(20-11(13)2)24-10-16-21-14-6-4-5-7-15(14)25-16/h4-8H,3,10H2,1-2H3