methyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-2-[(3-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-2-[(3-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate Openeye Name: methyl 4-[(2-chloro-6-fluoro-phenyl)methoxy]-2-[(3-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate CAS Name: 4-[(2-chloro-6-fluorophenyl)methoxy]-2-[(3-methoxyphenyl)methylthio]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-6-fluorophenyl)methoxy]-2-[(3-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate Traditional Name: 4-(2-chloro-6-fluoro-benzyl)oxy-2-(m-anisylthio)quinoline-3-carboxylic acid methyl ester Formula: C26H21ClFNO4S MolecularWeight: 497.965643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=CC=CC=C3C(=C2C(=O)OC)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=CC=CC=C3C(=C2C(=O)OC)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H21ClFNO4S/c1-31-17-8-5-7-16(13-17)15-34-25-23(26(30)32-2)24(18-9-3-4-12-22(18)29-25)33-14-19-20(27)10-6-11-21(19)28/h3-13H,14-15H2,1-2H3