2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid 2-phthalimidoethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C21H17N3O4S/c1-29-18-16(11-22)15(10-17(23-18)12-6-7-12)21(27)28-9-8-24-19(25)13-4-2-3-5-14(13)20(24)26/h2-5,10,12H,6-9H2,1H3