ethyl 2-ethoxy-5-[(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate

Systemtic Name: ethyl 2-ethoxy-5-[(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate Openeye Name: ethyl 2-ethoxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoate CAS Name: 2-ethoxy-5-[[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]benzoate Traditional Name: 2-ethoxy-5-[[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]methyl]benzoic acid ethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)O)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)O)C(=O)OCC

InChI

InChI=1S/C17H20N2O5S/c1-4-23-13-7-6-10(8-11(13)16(22)24-5-2)9-12-14(20)18-17(25-3)19-15(12)21/h6-8H,4-5,9H2,1-3H3,(H2,18,19,20,21)