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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-4-29-22(28)20-19(13(2)26)14(3)30-21(20)25-17(27)11-31-18-10-16(23-12-24-18)15-8-6-5-7-9-15/h5-10,12H,4,11H2,1-3H3,(H,25,27)