(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(furan-2-ylcarbonylamino)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(furan-2-carbonylamino)propanoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(furan-2-carbonylamino)propanoate Traditional Name: 3-(2-furoylamino)propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCNC(=O)C3=CC=CO3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCNC(=O)C3=CC=CO3)Cl

InChI

InChI=1S/C19H17ClN2O4S/c1-27-14-5-4-12-9-13(18(20)22-15(12)10-14)11-26-17(23)6-7-21-19(24)16-3-2-8-25-16/h2-5,8-10H,6-7,11H2,1H3,(H,21,24)