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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5S/c1-5-18(33-19-12-17(25-13-26-19)16-10-8-7-9-11-16)22(29)27-23-21(24(30)31-6-2)20(14(3)28)15(4)32-23/h7-13,18H,5-6H2,1-4H3,(H,27,29)