(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCC=CC3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)[C@H]3CCC=CC3)Cl

InChI

InChI=1S/C18H18ClNO2S/c1-23-15-8-7-13-9-14(17(19)20-16(13)10-15)11-22-18(21)12-5-3-2-4-6-12/h2-3,7-10,12H,4-6,11H2,1H3/t12-/m1/s1