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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-3-29-21(28)17-12(2)30-20(18(17)19(22)27)25-15(26)10-31-16-9-14(23-11-24-16)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3,(H2,22,27)(H,25,26)