(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-6-methyl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-phthalimidophenyl)cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C31H20N2O5S MolecularWeight: 532.5659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=CS3)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=CS3)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H20N2O5S/c1-18-8-13-25-23(15-18)24(31(37)38-17-27(34)28-7-4-14-39-28)16-26(32-25)19-9-11-20(12-10-19)33-29(35)21-5-2-3-6-22(21)30(33)36/h2-16H,17H2,1H3