[7-hexadecanoyloxy-1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] hexadecanoate

Systemtic Name: [7-hexadecanoyloxy-1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] hexadecanoate Openeye Name: [7-hexadecanoyloxy-1-(2-thienylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] hexadecanoate CAS Name: hexadecanoic acid [7-(1-oxohexadecoxy)-1-[(thiophen-2-ylthio)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl] ester IUPAC Name: [7-hexadecanoyloxy-1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl] hexadecanoate Traditional Name: palmitic acid [7-hexadecanoyloxy-1-[(2-thienylthio)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl] ester Formula: C46H75NO4S2 MolecularWeight: 770.222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C(NCCC2=C1)CSC3=CC=CS3)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C(NCCC2=C1)CSC3=CC=CS3)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C46H75NO4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-44(48)50-42-36-39-33-34-47-41(38-53-46-32-29-35-52-46)40(39)37-43(42)51-45(49)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32,35-37,41,47H,3-28,30-31,33-34,38H2,1-2H3