[2-[2-[(methoxycarbonylamino)methyl]pyridin-3-yl]thietan-2-yl]methyl N-hexadecylcarbamate

Systemtic Name: [2-[2-[(methoxycarbonylamino)methyl]pyridin-3-yl]thietan-2-yl]methyl N-hexadecylcarbamate Openeye Name: [2-[2-[(methoxycarbonylamino)methyl]-3-pyridyl]thietan-2-yl]methyl N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [2-[2-[(methoxycarbonylamino)methyl]-3-pyridinyl]-2-thietanyl]methyl ester IUPAC Name: [2-[2-[(methoxycarbonylamino)methyl]pyridin-3-yl]thietan-2-yl]methyl N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [2-[2-[(carbomethoxyamino)methyl]-3-pyridyl]thietan-2-yl]methyl ester Formula: C29H49N3O4S MolecularWeight: 535.78206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)OCC1(CCS1)C2=C(N=CC=C2)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)OCC1(CCS1)C2=C(N=CC=C2)CNC(=O)OC

InChI

InChI=1S/C29H49N3O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-28(34)36-24-29(19-22-37-29)25-18-17-21-30-26(25)23-32-27(33)35-2/h17-18,21H,3-16,19-20,22-24H2,1-2H3,(H,31,34)(H,32,33)