methyl 6-bromanyl-2-(octadecylcarbamoyloxy)-2-(thietan-3-yl)hexanoate

Systemtic Name: methyl 6-bromanyl-2-(octadecylcarbamoyloxy)-2-(thietan-3-yl)hexanoate Openeye Name: methyl 6-bromo-2-(octadecylcarbamoyloxy)-2-(thietan-3-yl)hexanoate CAS Name: 6-bromo-2-[(octadecylamino)-oxomethoxy]-2-(3-thietanyl)hexanoic acid methyl ester IUPAC Name: methyl 6-bromo-2-(octadecylcarbamoyloxy)-2-(thietan-3-yl)hexanoate Traditional Name: 6-bromo-2-(stearylcarbamoyloxy)-2-(thietan-3-yl)hexanoic acid methyl ester Formula: C29H54BrNO4S MolecularWeight: 592.71236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC(CCCCBr)(C1CSC1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC(CCCCBr)(C1CSC1)C(=O)OC

InChI

InChI=1S/C29H54BrNO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-28(33)35-29(27(32)34-2,21-18-19-22-30)26-24-36-25-26/h26H,3-25H2,1-2H3,(H,31,33)