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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-6-13(28-14-8-10(3)20-9-21-14)17(24)22-18-16(19(25)26-7-2)15(11(4)23)12(5)27-18/h8-9,13H,6-7H2,1-5H3,(H,22,24)