bis[3-(6-methylsulfanyl-9H-carbazol-2-yl)pentan-3-yl] propanedioate

Systemtic Name: bis[3-(6-methylsulfanyl-9H-carbazol-2-yl)pentan-3-yl] propanedioate Openeye Name: bis[1-ethyl-1-(6-methylsulfanyl-9H-carbazol-2-yl)propyl] propanedioate CAS Name: propanedioic acid bis[3-[6-(methylthio)-9H-carbazol-2-yl]pentan-3-yl] ester IUPAC Name: bis[3-(6-methylsulfanyl-9H-carbazol-2-yl)pentan-3-yl] propanedioate Traditional Name: malonic acid bis[1-ethyl-1-[6-(methylthio)-9H-carbazol-2-yl]propyl] ester Formula: C39H42N2O4S2 MolecularWeight: 666.89178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)SC)OC(=O)CC(=O)OC(CC)(CC)C4=CC5=C(C=C4)C6=C(N5)C=CC(=C6)SC

Isomeric SMILES

CCC(CC)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)SC)OC(=O)CC(=O)OC(CC)(CC)C4=CC5=C(C=C4)C6=C(N5)C=CC(=C6)SC

InChI

InChI=1S/C39H42N2O4S2/c1-7-38(8-2,24-11-15-28-30-21-26(46-5)13-17-32(30)40-34(28)19-24)44-36(42)23-37(43)45-39(9-3,10-4)25-12-16-29-31-22-27(47-6)14-18-33(31)41-35(29)20-25/h11-22,40-41H,7-10,23H2,1-6H3