tert-butyl 2-(decoxycarbonylamino)-5-octyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(decoxycarbonylamino)-5-octyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-(decoxycarbonylamino)-5-octyl-thiophene-3-carboxylate CAS Name: 2-[[decoxy(oxo)methyl]amino]-5-octyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(decoxycarbonylamino)-5-octylthiophene-3-carboxylate Traditional Name: 2-(decoxycarbonylamino)-5-octyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C28H49NO4S MolecularWeight: 495.75796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCCCCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H49NO4S/c1-6-8-10-12-14-15-17-19-21-32-27(31)29-25-24(26(30)33-28(3,4)5)22-23(34-25)20-18-16-13-11-9-7-2/h22H,6-21H2,1-5H3,(H,29,31)