2-[[4-oxidanidyl-6-oxidanylidene-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-oxidanidyl-6-oxidanylidene-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-oxido-6-oxo-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[4-oxido-6-oxo-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[4-oxido-6-oxo-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-keto-4-oxido-5-(4-propoxybenzyl)-1H-pyrimidin-2-yl]thio]acetate Formula: C16H16N2O5S-2 MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)[O-])[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)[O-])[O-]

InChI

InChI=1S/C16H18N2O5S/c1-2-7-23-11-5-3-10(4-6-11)8-12-14(21)17-16(18-15(12)22)24-9-13(19)20/h3-6H,2,7-9H2,1H3,(H,19,20)(H2,17,18,21,22)/p-2