S-[8-[4-(diethylamino)butanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)butanethioate

Systemtic Name: S-[8-[4-(diethylamino)butanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)butanethioate Openeye Name: S-[8-[4-(diethylamino)butanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)butanethioate CAS Name: 4-(diethylamino)butanethioic acid S-[8-[[4-(diethylamino)-1-oxobutyl]thio]-9H-xanthen-2-yl] ester IUPAC Name: S-[8-[4-(diethylamino)butanoylsulfanyl]-9H-xanthen-2-yl] 4-(diethylamino)butanethioate Traditional Name: 4-(diethylamino)butanethioic acid S-[8-[4-(diethylamino)butanoylthio]-9H-xanthen-2-yl] ester Formula: C29H40N2O3S2 MolecularWeight: 528.7695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O3S2/c1-5-30(6-2)18-10-14-28(32)35-23-16-17-25-22(20-23)21-24-26(34-25)12-9-13-27(24)36-29(33)15-11-19-31(7-3)8-4/h9,12-13,16-17,20H,5-8,10-11,14-15,18-19,21H2,1-4H3