(4-methylsulfanylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [4-(methylthio)benzyl] ester Formula: C22H17NO2S2 MolecularWeight: 391.50588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H17NO2S2/c1-26-16-10-8-15(9-11-16)14-25-22(24)18-13-20(21-7-4-12-27-21)23-19-6-3-2-5-17(18)19/h2-13H,14H2,1H3