[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NCCCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NCCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H23N3O3S/c1-29-21-18(13-23)17(12-19(25-21)16-9-10-16)22(27)28-14-20(26)24-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,14H2,1H3,(H,24,26)