tert-butyl 2-(dodecanoylamino)-5-heptyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(dodecanoylamino)-5-heptyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-(dodecanoylamino)-5-heptyl-thiophene-3-carboxylate CAS Name: 5-heptyl-2-(1-oxododecylamino)-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(dodecanoylamino)-5-heptylthiophene-3-carboxylate Traditional Name: 5-heptyl-2-(lauroylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C28H49NO3S MolecularWeight: 479.75856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C=C(S1)CCCCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C=C(S1)CCCCCCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H49NO3S/c1-6-8-10-12-13-14-15-17-19-21-25(30)29-26-24(27(31)32-28(3,4)5)22-23(33-26)20-18-16-11-9-7-2/h22H,6-21H2,1-5H3,(H,29,30)