(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1H-pyrrole-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1H-pyrrole-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C16H13ClN2O2S MolecularWeight: 332.80462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=CN3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=CN3)Cl

InChI

InChI=1S/C16H13ClN2O2S/c1-22-12-5-4-10-7-11(15(17)19-14(10)8-12)9-21-16(20)13-3-2-6-18-13/h2-8,18H,9H2,1H3