(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCC3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCC3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-28-15-7-6-13-10-14(21(22)24-17(13)11-15)12-26-20(25)9-8-19-23-16-4-2-3-5-18(16)27-19/h2-7,10-11H,8-9,12H2,1H3