[4-(5-methylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate

Systemtic Name: [4-(5-methylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate Openeye Name: [4-(5-methylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate CAS Name: 5-butyl-2-thiophenecarboxylic acid [4-(5-methyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-methylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate Traditional Name: 5-butylthiophene-2-carboxylic acid [4-(5-methylpyrimidin-2-yl)phenyl] ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C

Isomeric SMILES

CCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C

InChI

InChI=1S/C20H20N2O2S/c1-3-4-5-17-10-11-18(25-17)20(23)24-16-8-6-15(7-9-16)19-21-12-14(2)13-22-19/h6-13H,3-5H2,1-2H3