diethyl 2-methyl-5-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3,4-dicarboxylate

Systemtic Name: diethyl 2-methyl-5-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3,4-dicarboxylate Openeye Name: diethyl 2-methyl-5-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3,4-dicarboxylate CAS Name: 2-methyl-5-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]furan-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-5-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3,4-dicarboxylate Traditional Name: 2-methyl-5-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]furan-3,4-dicarboxylic acid diethyl ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O6S/c1-4-31-23(29)20-15(3)33-22(21(20)24(30)32-5-2)27-18(28)11-12-34-19-13-17(25-14-26-19)16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,27,28)