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

Systemtic Name: [3-(hexadecoxymethyl)thietan-2-yl]methyl N-ethanoyl-N-(pyridin-2-ylmethyl)carbamate Openeye Name: [3-(hexadecoxymethyl)thietan-2-yl]methyl N-acetyl-N-(2-pyridylmethyl)carbamate CAS Name: N-acetyl-N-(2-pyridinylmethyl)carbamic acid [3-(hexadecoxymethyl)-2-thietanyl]methyl ester IUPAC Name: [3-(hexadecoxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate Traditional Name: N-acetyl-N-(2-pyridylmethyl)carbamic acid [3-(cetyloxymethyl)thietan-2-yl]methyl ester Formula: C30H50N2O4S MolecularWeight: 534.794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CSC1COC(=O)N(CC2=CC=CC=N2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CSC1COC(=O)N(CC2=CC=CC=N2)C(=O)C

InChI

InChI=1S/C30H50N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-35-23-27-25-37-29(27)24-36-30(34)32(26(2)33)22-28-19-16-17-20-31-28/h16-17,19-20,27,29H,3-15,18,21-25H2,1-2H3