[2,3,4,5,6-pentakis(fluoranyl)phenyl] 2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2,3,4,5,6-pentakis(fluoranyl)phenyl] 2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2,3,4,5,6-pentafluorophenyl) 2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoate CAS Name: 2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propanoic acid (2,3,4,5,6-pentafluorophenyl) ester IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(benzylthio)propionic acid (2,3,4,5,6-pentafluorophenyl) ester Formula: C24H18F5NO4S MolecularWeight: 511.461036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

InChI

InChI=1S/C24H18F5NO4S/c25-17-18(26)20(28)22(21(29)19(17)27)34-23(31)16(13-35-12-15-9-5-2-6-10-15)30-24(32)33-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,30,32)