(3-methylquinoxalin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

InChI

InChI=1S/C21H18N4O2S/c1-12-19(24-17-6-4-3-5-16(17)23-12)11-27-21(26)14-9-18(13-7-8-13)25-20(28-2)15(14)10-22/h3-6,9,13H,7-8,11H2,1-2H3