bis[3-(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)pentan-3-yl] propanedioate

Systemtic Name: bis[3-(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)pentan-3-yl] propanedioate Openeye Name: bis[1-ethyl-1-(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propyl] propanedioate CAS Name: propanedioic acid bis[3-[6-(methylthio)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]pentan-3-yl] ester IUPAC Name: bis[3-(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)pentan-3-yl] propanedioate Traditional Name: malonic acid bis[1-ethyl-1-[6-(methylthio)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]propyl] ester Formula: C39H50N2O4S2 MolecularWeight: 674.9553

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1CCC2=C(C1)NC3=C2C=C(C=C3)SC)OC(=O)CC(=O)OC(CC)(CC)C4CCC5=C(C4)NC6=C5C=C(C=C6)SC

Isomeric SMILES

CCC(CC)(C1CCC2=C(C1)NC3=C2C=C(C=C3)SC)OC(=O)CC(=O)OC(CC)(CC)C4CCC5=C(C4)NC6=C5C=C(C=C6)SC

InChI

InChI=1S/C39H50N2O4S2/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/h13-14,17-18,21-22,24-25,40-41H,7-12,15-16,19-20,23H2,1-6H3