(2-benzamido-2-oxidanylidene-ethyl) 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-28-19-15(10-21)14(9-16(22-19)12-7-8-12)20(26)27-11-17(24)23-18(25)13-5-3-2-4-6-13/h2-6,9,12H,7-8,11H2,1H3,(H,23,24,25)