6-(5-carboxy-3-ethylsulfanyl-2-phenyl-quinolin-6-yl)oxy-3-ethylsulfanyl-2-phenyl-quinoline-5-carboxylic acid

Systemtic Name: 6-(5-carboxy-3-ethylsulfanyl-2-phenyl-quinolin-6-yl)oxy-3-ethylsulfanyl-2-phenyl-quinoline-5-carboxylic acid Openeye Name: 6-[(5-carboxy-3-ethylsulfanyl-2-phenyl-6-quinolyl)oxy]-3-ethylsulfanyl-2-phenyl-quinoline-5-carboxylic acid CAS Name: 6-[[5-carboxy-3-(ethylthio)-2-phenyl-6-quinolinyl]oxy]-3-(ethylthio)-2-phenyl-5-quinolinecarboxylic acid IUPAC Name: 6-(5-carboxy-3-ethylsulfanyl-2-phenylquinolin-6-yl)oxy-3-ethylsulfanyl-2-phenylquinoline-5-carboxylic acid Traditional Name: 6-[[5-carboxy-3-(ethylthio)-2-phenyl-6-quinolyl]oxy]-3-(ethylthio)-2-phenyl-quinoline-5-carboxylic acid Formula: C36H28N2O5S2 MolecularWeight: 632.74792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C2C=CC(=C(C2=C1)C(=O)O)OC3=C(C4=CC(=C(N=C4C=C3)C5=CC=CC=C5)SCC)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CCSC1=C(N=C2C=CC(=C(C2=C1)C(=O)O)OC3=C(C4=CC(=C(N=C4C=C3)C5=CC=CC=C5)SCC)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C36H28N2O5S2/c1-3-44-29-19-23-25(37-33(29)21-11-7-5-8-12-21)15-17-27(31(23)35(39)40)43-28-18-16-26-24(32(28)36(41)42)20-30(45-4-2)34(38-26)22-13-9-6-10-14-22/h5-20H,3-4H2,1-2H3,(H,39,40)(H,41,42)