dipropan-2-yl 3-methyl-5-(octanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 3-methyl-5-(octanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 3-methyl-5-(octanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-(1-oxooctylamino)thiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-methyl-5-(octanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(caprylylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C(=O)OC(C)C

InChI

InChI=1S/C21H33NO5S/c1-7-8-9-10-11-12-16(23)22-19-17(20(24)26-13(2)3)15(6)18(28-19)21(25)27-14(4)5/h13-14H,7-12H2,1-6H3,(H,22,23)