[2-(pyridin-2-ylmethylcarbamoyloxymethyl)thietan-3-yl]methyl N-octadecylcarbamate

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoyloxymethyl)thietan-3-yl]methyl N-octadecylcarbamate Openeye Name: [2-(2-pyridylmethylcarbamoyloxymethyl)thietan-3-yl]methyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [2-[[oxo-(2-pyridinylmethylamino)methoxy]methyl]-3-thietanyl]methyl ester IUPAC Name: [2-(pyridin-2-ylmethylcarbamoyloxymethyl)thietan-3-yl]methyl N-octadecylcarbamate Traditional Name: N-(2-pyridylmethyl)carbamic acid [3-(stearylcarbamoyloxymethyl)thietan-2-yl]methyl ester Formula: C31H53N3O4S MolecularWeight: 563.83522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)NCC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C31H53N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-33-30(35)37-24-27-26-39-29(27)25-38-31(36)34-23-28-20-17-19-21-32-28/h17,19-21,27,29H,2-16,18,22-26H2,1H3,(H,33,35)(H,34,36)