methyl 5-bromanyl-2-methyl-3-(octadecylcarbamoyloxy)-2-(thietan-2-yl)pentanoate

Systemtic Name: methyl 5-bromanyl-2-methyl-3-(octadecylcarbamoyloxy)-2-(thietan-2-yl)pentanoate Openeye Name: methyl 5-bromo-2-methyl-3-(octadecylcarbamoyloxy)-2-(thietan-2-yl)pentanoate CAS Name: 5-bromo-2-methyl-3-[(octadecylamino)-oxomethoxy]-2-(2-thietanyl)pentanoic acid methyl ester IUPAC Name: methyl 5-bromo-2-methyl-3-(octadecylcarbamoyloxy)-2-(thietan-2-yl)pentanoate Traditional Name: 5-bromo-2-methyl-3-(stearylcarbamoyloxy)-2-(thietan-2-yl)valeric acid methyl ester Formula: C29H54BrNO4S MolecularWeight: 592.71236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC(CCBr)C(C)(C1CCS1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC(CCBr)C(C)(C1CCS1)C(=O)OC

InChI

InChI=1S/C29H54BrNO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-28(33)35-25(20-22-30)29(2,27(32)34-3)26-21-24-36-26/h25-26H,4-24H2,1-3H3,(H,31,33)