tert-butyl 4-methyl-2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 4-methyl-2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylate Openeye Name: tert-butyl 4-methyl-2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[octoxy(oxo)methyl]amino]-5-octyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-(octoxycarbonylamino)-5-octylthiophene-3-carboxylate Traditional Name: 4-methyl-2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C27H47NO4S MolecularWeight: 481.73138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCCC1=C(C(=C(S1)NC(=O)OCCCCCCCC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H47NO4S/c1-7-9-11-13-15-17-19-22-21(3)23(25(29)32-27(4,5)6)24(33-22)28-26(30)31-20-18-16-14-12-10-8-2/h7-20H2,1-6H3,(H,28,30)