tert-butyl 2-(octoxycarbonylamino)-5-pentyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(octoxycarbonylamino)-5-pentyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-(octoxycarbonylamino)-5-pentyl-thiophene-3-carboxylate CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-pentyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(octoxycarbonylamino)-5-pentylthiophene-3-carboxylate Traditional Name: 5-amyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid tert-butyl ester Formula: C23H39NO4S MolecularWeight: 425.62506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H39NO4S/c1-6-8-10-11-12-14-16-27-22(26)24-20-19(21(25)28-23(3,4)5)17-18(29-20)15-13-9-7-2/h17H,6-16H2,1-5H3,(H,24,26)