S-[3-[3-[[di(propan-2-yl)amino]-methoxy-phosphanyl]oxypropylcarbamoyl]-5-ethanoylsulfanyl-phenyl] ethanethioate

Systemtic Name: S-[3-[3-[[di(propan-2-yl)amino]-methoxy-phosphanyl]oxypropylcarbamoyl]-5-ethanoylsulfanyl-phenyl] ethanethioate Openeye Name: S-[3-acetylsulfanyl-5-[3-[(diisopropylamino)-methoxy-phosphanyl]oxypropylcarbamoyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[3-(acetylthio)-5-[[3-[[di(propan-2-yl)amino]-methoxyphosphino]oxypropylamino]-oxomethyl]phenyl] ester IUPAC Name: S-[3-acetylsulfanyl-5-[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamoyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(acetylthio)-5-[3-[(diisopropylamino)-methoxy-phosphino]oxypropylcarbamoyl]phenyl] ester Formula: C21H33N2O5PS2 MolecularWeight: 488.600881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OC)OCCCNC(=O)C1=CC(=CC(=C1)SC(=O)C)SC(=O)C

Isomeric SMILES

CC(C)N(C(C)C)P(OC)OCCCNC(=O)C1=CC(=CC(=C1)SC(=O)C)SC(=O)C

InChI

InChI=1S/C21H33N2O5PS2/c1-14(2)23(15(3)4)29(27-7)28-10-8-9-22-21(26)18-11-19(30-16(5)24)13-20(12-18)31-17(6)25/h11-15H,8-10H2,1-7H3,(H,22,26)