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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[3-[(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)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O5S/c1-3-30-22(29)18-13(2)31-21(19(18)20(23)28)26-16(27)9-10-32-17-11-15(24-12-25-17)14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H2,23,28)(H,26,27)