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

Systemtic Name: diethyl 2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate Openeye Name: diethyl 2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate CAS Name: 2-methyl-5-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]furan-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate Traditional Name: 2-methyl-5-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]furan-3,4-dicarboxylic acid diethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)OCC)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)OCC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O6S/c1-5-18(35-19-13-17(26-14-27-19)16-11-9-8-10-12-16)22(29)28-23-21(25(31)33-7-3)20(15(4)34-23)24(30)32-6-2/h8-14,18H,5-7H2,1-4H3,(H,28,29)