phenyl 4-(5-dodecylpyrimidin-2-yl)-5-hexyl-thiophene-2-carboxylate

Systemtic Name: phenyl 4-(5-dodecylpyrimidin-2-yl)-5-hexyl-thiophene-2-carboxylate Openeye Name: phenyl 4-(5-dodecylpyrimidin-2-yl)-5-hexyl-thiophene-2-carboxylate CAS Name: 4-(5-dodecyl-2-pyrimidinyl)-5-hexyl-2-thiophenecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-dodecylpyrimidin-2-yl)-5-hexylthiophene-2-carboxylate Traditional Name: 5-hexyl-4-(5-laurylpyrimidin-2-yl)thiophene-2-carboxylic acid phenyl ester Formula: C33H46N2O2S MolecularWeight: 534.79554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=C(SC(=C2)C(=O)OC3=CC=CC=C3)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=C(SC(=C2)C(=O)OC3=CC=CC=C3)CCCCCC

InChI

InChI=1S/C33H46N2O2S/c1-3-5-7-9-10-11-12-13-14-16-20-27-25-34-32(35-26-27)29-24-31(38-30(29)23-19-8-6-4-2)33(36)37-28-21-17-15-18-22-28/h15,17-18,21-22,24-26H,3-14,16,19-20,23H2,1-2H3