(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C16H16ClNO2S/c1-9-5-13(9)16(19)20-8-11-6-10-3-4-12(21-2)7-14(10)18-15(11)17/h3-4,6-7,9,13H,5,8H2,1-2H3/t9-,13-/m0/s1