S-[7-[4-(diethylamino)pentanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)pentanethioate

Systemtic Name: S-[7-[4-(diethylamino)pentanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)pentanethioate Openeye Name: S-[7-[4-(diethylamino)pentanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)pentanethioate CAS Name: 4-(diethylamino)pentanethioic acid S-[7-[[4-(diethylamino)-1-oxopentyl]thio]-9H-xanthen-2-yl] ester IUPAC Name: S-[7-[4-(diethylamino)pentanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)pentanethioate Traditional Name: 4-(diethylamino)pentanethioic acid S-[7-[4-(diethylamino)pentanoylthio]-9H-xanthen-2-yl] ester Formula: C31H44N2O3S2 MolecularWeight: 556.82266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)CCC(=O)SC1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)SC(=O)CCC(C)N(CC)CC

Isomeric SMILES

CCN(CC)C(C)CCC(=O)SC1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)SC(=O)CCC(C)N(CC)CC

InChI

InChI=1S/C31H44N2O3S2/c1-7-32(8-2)22(5)11-17-30(34)37-26-13-15-28-24(20-26)19-25-21-27(14-16-29(25)36-28)38-31(35)18-12-23(6)33(9-3)10-4/h13-16,20-23H,7-12,17-19H2,1-6H3