[3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-(pyridin-2-ylmethyl)carbamate

Systemtic Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-(pyridin-2-ylmethyl)carbamate Openeye Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(2-pyridylmethyl)carbamate CAS Name: N-acetyl-N-(2-pyridinylmethyl)carbamic acid [3-[[(octadecylamino)-oxomethoxy]methyl]-2-thietanyl]methyl ester IUPAC Name: [3-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate Traditional Name: N-acetyl-N-(2-pyridylmethyl)carbamic acid [3-(stearylcarbamoyloxymethyl)thietan-2-yl]methyl ester Formula: C33H55N3O5S MolecularWeight: 605.8719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)N(CC2=CC=CC=N2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)N(CC2=CC=CC=N2)C(=O)C

InChI

InChI=1S/C33H55N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-32(38)40-25-29-27-42-31(29)26-41-33(39)36(28(2)37)24-30-21-18-20-22-34-30/h18,20-22,29,31H,3-17,19,23-27H2,1-2H3,(H,35,38)