[3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-(2H-quinolin-1-yl)hexanoate

Systemtic Name: [3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-(2H-quinolin-1-yl)hexanoate Openeye Name: [3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-(2H-quinolin-1-yl)hexanoate CAS Name: 6-(2H-quinolin-1-yl)hexanoic acid [3-[[(octadecylamino)-oxomethoxy]methyl]-3-thietanyl]methyl ester IUPAC Name: [3-(octadecylcarbamoyloxymethyl)thietan-3-yl]methyl 6-(2H-quinolin-1-yl)hexanoate Traditional Name: 6-(2H-quinolin-1-yl)hexanoic acid [3-(stearylcarbamoyloxymethyl)thietan-3-yl]methyl ester Formula: C39H64N2O4S MolecularWeight: 657.00146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CSC1)COC(=O)CCCCCN2CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CSC1)COC(=O)CCCCCN2CC=CC3=CC=CC=C32

InChI

InChI=1S/C39H64N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-40-38(43)45-32-39(33-46-34-39)31-44-37(42)27-18-17-22-29-41-30-23-25-35-24-19-20-26-36(35)41/h19-20,23-26H,2-18,21-22,27-34H2,1H3,(H,40,43)