(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 7-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 7-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-[4-(5,6-dibromo-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C31H23Br2ClN2O5S MolecularWeight: 730.85072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=CS3)C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=CS3)C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br)Cl

InChI

InChI=1S/C31H23Br2ClN2O5S/c1-15-24(34)9-8-18-21(31(40)41-14-26(37)27-3-2-10-42-27)13-25(35-28(15)18)16-4-6-17(7-5-16)36-29(38)19-11-22(32)23(33)12-20(19)30(36)39/h2-10,13,19-20,22-23H,11-12,14H2,1H3