(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCC3=CNC4=CC=CC=C43)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCC3=CNC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H19ClN2O2S/c1-28-17-8-6-14-10-16(22(23)25-20(14)11-17)13-27-21(26)9-7-15-12-24-19-5-3-2-4-18(15)19/h2-6,8,10-12,24H,7,9,13H2,1H3