O4-tert-butyl O2-octyl 3-methyl-5-(2-methylpropoxycarbonylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-octyl 3-methyl-5-(2-methylpropoxycarbonylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-octyl 5-(isobutoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-methylpropoxy(oxo)methyl]amino]thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester IUPAC Name: 4-O-tert-butyl 2-O-octyl 3-methyl-5-(2-methylpropoxycarbonylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isobutoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester Formula: C24H39NO6S MolecularWeight: 469.63456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCC(C)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCC(C)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H39NO6S/c1-8-9-10-11-12-13-14-29-22(27)19-17(4)18(21(26)31-24(5,6)7)20(32-19)25-23(28)30-15-16(2)3/h16H,8-15H2,1-7H3,(H,25,28)