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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]furan-3-carboxylic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O5S/c1-4-30-22(29)17-12(2)31-21(18(17)19(23)27)26-20(28)13(3)32-16-10-15(24-11-25-16)14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H2,23,27)(H,26,28)