3-(phenylsulfonyl)propyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: 3-(phenylsulfonyl)propyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: 3-(benzenesulfonyl)propyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 3-(benzenesulfonyl)propyl ester IUPAC Name: 3-(benzenesulfonyl)propyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid 3-besylpropyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCCCS(=O)(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCCCS(=O)(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N2O4S2/c1-27-19-17(13-21)16(12-18(22-19)14-8-9-14)20(23)26-10-5-11-28(24,25)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11H2,1H3