[2-[(methoxycarbonylamino)methyl]-3-(1-oxidanylidenethietan-3-yl)pyridin-4-yl]methyl N-octadecylcarbamate

Systemtic Name: [2-[(methoxycarbonylamino)methyl]-3-(1-oxidanylidenethietan-3-yl)pyridin-4-yl]methyl N-octadecylcarbamate Openeye Name: [2-[(methoxycarbonylamino)methyl]-3-(1-oxothietan-3-yl)-4-pyridyl]methyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [2-[(methoxycarbonylamino)methyl]-3-(1-oxo-3-thietanyl)-4-pyridinyl]methyl ester IUPAC Name: [2-[(methoxycarbonylamino)methyl]-3-(1-oxothietan-3-yl)pyridin-4-yl]methyl N-octadecylcarbamate Traditional Name: N-[[3-(1-ketothietan-3-yl)-4-(stearylcarbamoyloxymethyl)-2-pyridyl]methyl]carbamic acid methyl ester Formula: C31H53N3O5S MolecularWeight: 579.83462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=C(C(=NC=C1)CNC(=O)OC)C2CS(=O)C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=C(C(=NC=C1)CNC(=O)OC)C2CS(=O)C2

InChI

InChI=1S/C31H53N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-33-31(36)39-23-26-19-21-32-28(22-34-30(35)38-2)29(26)27-24-40(37)25-27/h19,21,27H,3-18,20,22-25H2,1-2H3,(H,33,36)(H,34,35)