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

Systemtic Name: O4-tert-butyl O2-octyl 3-methyl-5-(propan-2-yloxycarbonylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-octyl 5-(isopropoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo(propan-2-yloxy)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-(propan-2-yloxycarbonylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isopropoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-octyl ester Formula: C23H37NO6S MolecularWeight: 455.60798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO6S/c1-8-9-10-11-12-13-14-28-21(26)18-16(4)17(20(25)30-23(5,6)7)19(31-18)24-22(27)29-15(2)3/h15H,8-14H2,1-7H3,(H,24,27)