(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl pyridine-3-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl pyridine-3-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C17H13ClN2O2S MolecularWeight: 344.81532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CN=CC=C3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CN=CC=C3)Cl

InChI

InChI=1S/C17H13ClN2O2S/c1-23-14-5-4-11-7-13(16(18)20-15(11)8-14)10-22-17(21)12-3-2-6-19-9-12/h2-9H,10H2,1H3