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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[2-[(6-methylpyrimidin-4-yl)thio]propanoylamino]furan-3-carboxylic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-6-25-18(24)15-14(10(3)22)11(4)26-17(15)21-16(23)12(5)27-13-7-9(2)19-8-20-13/h7-8,12H,6H2,1-5H3,(H,21,23)