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

Systemtic Name: [3-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-(pyridin-2-ylmethyl)carbamate Openeye Name: [3-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(2-pyridylmethyl)carbamate CAS Name: N-acetyl-N-(2-pyridinylmethyl)carbamic acid [3-[[(hexadecylamino)-oxomethoxy]methyl]-2-thietanyl]methyl ester IUPAC Name: [3-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate Traditional Name: N-acetyl-N-(2-pyridylmethyl)carbamic acid [3-(cetylcarbamoyloxymethyl)thietan-2-yl]methyl ester Formula: C31H51N3O5S MolecularWeight: 577.81874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-33-30(36)38-23-27-25-40-29(27)24-39-31(37)34(26(2)35)22-28-19-16-18-20-32-28/h16,18-20,27,29H,3-15,17,21-25H2,1-2H3,(H,33,36)