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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[3-[(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)CCSC2=NC=NC(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-5-25-18(24)16-15(11(3)22)12(4)26-17(16)21-13(23)6-7-27-14-8-10(2)19-9-20-14/h8-9H,5-7H2,1-4H3,(H,21,23)