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

Systemtic Name: [2-[2-[(methoxycarbonylamino)methyl]pyridin-3-yl]thietan-2-yl]methyl N-octadecylcarbamate Openeye Name: [2-[2-[(methoxycarbonylamino)methyl]-3-pyridyl]thietan-2-yl]methyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic 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-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-[2-[(carbomethoxyamino)methyl]-3-pyridyl]thietan-2-yl]methyl ester Formula: C31H53N3O4S MolecularWeight: 563.83522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53N3O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-30(36)38-26-31(21-24-39-31)27-20-19-23-32-28(27)25-34-29(35)37-2/h19-20,23H,3-18,21-22,24-26H2,1-2H3,(H,33,36)(H,34,35)