(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-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]-8-methylquinoline-4-carboxylate Traditional Name: 8-methyl-2-(4-phthalimidophenyl)cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C31H20N2O5S MolecularWeight: 532.5659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=CS3)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=CC2=C1N=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/c1-18-6-4-9-21-24(31(37)38-17-26(34)27-10-5-15-39-27)16-25(32-28(18)21)19-11-13-20(14-12-19)33-29(35)22-7-2-3-8-23(22)30(33)36/h2-16H,17H2,1H3