diethyl 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanedioate CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanedioate Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]malonic acid diethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O5S/c1-3-23-15(21)14(16(22)24-4-2)25-17-18-12(10-13(20)19-17)11-8-6-5-7-9-11/h5-10,14H,3-4H2,1-2H3,(H,18,19,20)