ethyl 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CO2)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CO2)C(=O)OCC

InChI

InChI=1S/C15H18N2O4S/c1-3-5-10-8-13(18)17-15(16-10)22-9-12-11(6-7-21-12)14(19)20-4-2/h6-8H,3-5,9H2,1-2H3,(H,16,17,18)