(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C17H15N3O2S/c1-11-15(20-14-8-4-3-7-13(14)19-11)10-22-17(21)12-6-5-9-18-16(12)23-2/h3-9H,10H2,1-2H3