(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(cyclohexylcarbonylamino)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(cyclohexylcarbonylamino)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(cyclohexanecarbonylamino)acetate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(cyclohexanecarbonylamino)acetate Traditional Name: 2-(cyclohexanecarbonylamino)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)C3CCCCC3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC(=O)C3CCCCC3)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-27-16-8-7-14-9-15(19(21)23-17(14)10-16)12-26-18(24)11-22-20(25)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,22,25)