2-bromanyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[[2-isothiocyanato-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-methoxy-benzoic acid

Systemtic Name: 2-bromanyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[[2-isothiocyanato-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-methoxy-benzoic acid Openeye Name: 2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-6-[[2-isothiocyanato-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-methoxy-benzoic acid CAS Name: 2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-6-[[[2-isothiocyanato-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thio]methyl]-3-methoxybenzoic acid IUPAC Name: 2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-6-[[2-isothiocyanato-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-methoxybenzoic acid Traditional Name: 2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-6-[[[2-isothiocyanato-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thio]methyl]-3-methoxy-benzoic acid Formula: C21H28BrN3O5S2Si MolecularWeight: 574.58362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C(CSCC2=C(C(=C(C=C2O[Si](C)(C)C(C)(C)C)OC)Br)C(=O)O)N=C=S

Isomeric SMILES

CC1=NOC(=N1)C(CSCC2=C(C(=C(C=C2O[Si](C)(C)C(C)(C)C)OC)Br)C(=O)O)N=C=S

InChI

InChI=1S/C21H28BrN3O5S2Si/c1-12-24-19(29-25-12)14(23-11-31)10-32-9-13-15(30-33(6,7)21(2,3)4)8-16(28-5)18(22)17(13)20(26)27/h8,14H,9-10H2,1-7H3,(H,26,27)