(3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-thiophen-3-ylpropanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C18H16ClNO2S MolecularWeight: 345.84314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC3=CSC=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC3=CSC=C3)Cl

InChI

InChI=1S/C18H16ClNO2S/c1-12-14-4-2-3-5-15(14)20-16(18(12)19)10-22-17(21)7-6-13-8-9-23-11-13/h2-5,8-9,11H,6-7,10H2,1H3