S-[[3-(3-trimethoxysilylpropylcarbamoylsulfanyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]] N-butylcarbamothioate

Systemtic Name: S-[[3-(3-trimethoxysilylpropylcarbamoylsulfanyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]] N-butylcarbamothioate Openeye Name: S-[[3-(3-trimethoxysilylpropylcarbamoylsulfanyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]] N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-[[3-[[oxo-(3-trimethoxysilylpropylamino)methyl]thio]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]] ester IUPAC Name: S-[[3-(3-trimethoxysilylpropylcarbamoylsulfanyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]] N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-[[3-(3-trimethoxysilylpropylcarbamoylthio)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]] ester Formula: C18H32N2O6S2Si MolecularWeight: 464.67198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)SC1C2C=CC(C1SC(=O)NCCC[Si](OC)(OC)OC)O2

Isomeric SMILES

CCCCNC(=O)SC1C2C=CC(C1SC(=O)NCCC[Si](OC)(OC)OC)O2

InChI

InChI=1S/C18H32N2O6S2Si/c1-5-6-10-19-17(21)27-15-13-8-9-14(26-13)16(15)28-18(22)20-11-7-12-29(23-2,24-3)25-4/h8-9,13-16H,5-7,10-12H2,1-4H3,(H,19,21)(H,20,22)