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

Systemtic Name: O4-tert-butyl O2-octyl 5-(ethoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-octyl 5-(ethoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-(ethoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester IUPAC Name: 4-O-tert-butyl 2-O-octyl 5-(ethoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(carbethoxyamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO6S/c1-7-9-10-11-12-13-14-28-20(25)17-15(3)16(19(24)29-22(4,5)6)18(30-17)23-21(26)27-8-2/h7-14H2,1-6H3,(H,23,26)