(4-methylsulfanylphenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [4-(methylthio)benzyl] ester Formula: C22H17NO3S MolecularWeight: 375.44028

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=CO4

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C22H17NO3S/c1-27-16-10-8-15(9-11-16)14-26-22(24)18-13-20(21-7-4-12-25-21)23-19-6-3-2-5-17(18)19/h2-13H,14H2,1H3