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

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)N)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)N)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O5S/c1-4-16(33-17-11-15(25-12-26-17)14-9-7-6-8-10-14)21(29)27-22-19(20(24)28)18(13(3)32-22)23(30)31-5-2/h6-12,16H,4-5H2,1-3H3,(H2,24,28)(H,27,29)