ethyl 4-ethanoyl-5-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]furan-3-carboxylic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O5S/c1-4-30-23(29)21-20(14(2)27)15(3)31-22(21)26-18(28)10-11-32-19-12-17(24-13-25-19)16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,26,28)