2-[1-[4-(5-undecylpyrimidin-2-yl)phenyl]propyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[1-[4-(5-undecylpyrimidin-2-yl)phenyl]propyl]-1,3-thiazole-5-carboxylate Openeye Name: 2-[1-[4-(5-undecylpyrimidin-2-yl)phenyl]propyl]thiazole-5-carboxylate CAS Name: 2-[1-[4-(5-undecyl-2-pyrimidinyl)phenyl]propyl]-5-thiazolecarboxylate IUPAC Name: 2-[1-[4-(5-undecylpyrimidin-2-yl)phenyl]propyl]-1,3-thiazole-5-carboxylate Traditional Name: 2-[1-[4-(5-undecylpyrimidin-2-yl)phenyl]propyl]thiazole-5-carboxylate Formula: C28H36N3O2S- MolecularWeight: 478.66934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(CC)C3=NC=C(S3)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(CC)C3=NC=C(S3)C(=O)[O-]

InChI

InChI=1S/C28H37N3O2S/c1-3-5-6-7-8-9-10-11-12-13-21-18-29-26(30-19-21)23-16-14-22(15-17-23)24(4-2)27-31-20-25(34-27)28(32)33/h14-20,24H,3-13H2,1-2H3,(H,32,33)/p-1