S-[7-[2-(diethylamino)ethanoylsulfanyl]-9H-xanthen-2-yl] 2-(diethylamino)ethanethioate

Systemtic Name: S-[7-[2-(diethylamino)ethanoylsulfanyl]-9H-xanthen-2-yl] 2-(diethylamino)ethanethioate Openeye Name: S-[7-[2-(diethylamino)acetyl]sulfanyl-9H-xanthen-2-yl] 2-(diethylamino)ethanethioate CAS Name: 2-(diethylamino)ethanethioic acid S-[7-[[2-(diethylamino)-1-oxoethyl]thio]-9H-xanthen-2-yl] ester IUPAC Name: S-[7-[2-(diethylamino)acetyl]sulfanyl-9H-xanthen-2-yl] 2-(diethylamino)ethanethioate Traditional Name: 2-(diethylamino)ethanethioic acid S-[7-[[2-(diethylamino)acetyl]thio]-9H-xanthen-2-yl] ester Formula: C25H32N2O3S2 MolecularWeight: 472.66318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3S2/c1-5-26(6-2)16-24(28)31-20-9-11-22-18(14-20)13-19-15-21(10-12-23(19)30-22)32-25(29)17-27(7-3)8-4/h9-12,14-15H,5-8,13,16-17H2,1-4H3