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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(NC(=S)NC2=O)O)C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(NC(=S)NC2=O)O)C(=O)OCC

InChI

InChI=1S/C17H20N2O5S/c1-3-7-24-13-6-5-10(8-11(13)16(22)23-4-2)9-12-14(20)18-17(25)19-15(12)21/h5-6,8H,3-4,7,9H2,1-2H3,(H3,18,19,20,21,25)