3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[3-methoxy-3-oxidanylidene-2-[2-(triphenylmethyl)oxypropanoylamino]propyl]sulfanylmethyl]-6-methyl-benzoic acid

Systemtic Name: 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[3-methoxy-3-oxidanylidene-2-[2-(triphenylmethyl)oxypropanoylamino]propyl]sulfanylmethyl]-6-methyl-benzoic acid Openeye Name: 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[3-methoxy-3-oxo-2-(2-trityloxypropanoylamino)propyl]sulfanylmethyl]-6-methyl-benzoic acid CAS Name: 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[[3-methoxy-3-oxo-2-[[1-oxo-2-(triphenylmethyl)oxypropyl]amino]propyl]thio]methyl]-6-methylbenzoic acid IUPAC Name: 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[3-methoxy-3-oxo-2-(2-trityloxypropanoylamino)propyl]sulfanylmethyl]-6-methylbenzoic acid Traditional Name: 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[[3-keto-3-methoxy-2-(2-trityloxypropanoylamino)propyl]thio]methyl]-6-methyl-benzoic acid Formula: C47H63NO8SSi2 MolecularWeight: 858.24102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CSCC(C(=O)OC)NC(=O)C(C)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CSCC(C(=O)OC)NC(=O)C(C)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C47H63NO8SSi2/c1-32-39(55-58(10,11)45(3,4)5)29-40(56-59(12,13)46(6,7)8)37(41(32)43(50)51)30-57-31-38(44(52)53-9)48-42(49)33(2)54-47(34-23-17-14-18-24-34,35-25-19-15-20-26-35)36-27-21-16-22-28-36/h14-29,33,38H,30-31H2,1-13H3,(H,48,49)(H,50,51)