[3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl 5-bromanylpentanoate

Systemtic Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl 5-bromanylpentanoate Openeye Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl 5-bromopentanoate CAS Name: 5-bromopentanoic acid [3-[[(octadecylamino)-oxomethoxy]methyl]-2-thietanyl]methyl ester IUPAC Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl 5-bromopentanoate Traditional Name: 5-bromovaleric acid [3-(stearylcarbamoyloxymethyl)thietan-2-yl]methyl ester Formula: C29H54BrNO4S MolecularWeight: 592.71236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)CCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)CCCCBr

InChI

InChI=1S/C29H54BrNO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-29(33)35-23-26-25-36-27(26)24-34-28(32)20-17-18-21-30/h26-27H,2-25H2,1H3,(H,31,33)