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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-methylpyrrole-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CN1C=CC=C1C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C17H15ClN2O2S/c1-20-7-3-4-15(20)17(21)22-10-12-8-11-5-6-13(23-2)9-14(11)19-16(12)18/h3-9H,10H2,1-2H3