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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]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)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

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

InChI

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