2,3-dimethoxy-6-[(S)-(6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-oxidanyl-methyl]benzoate

Systemtic Name: 2,3-dimethoxy-6-[(S)-(6-oxidanidyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-oxidanyl-methyl]benzoate Openeye Name: 6-[(S)-hydroxy-(6-oxido-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxy-benzoate CAS Name: 6-[(S)-hydroxy-(6-oxido-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxybenzoate IUPAC Name: 6-[(S)-hydroxy-(6-oxido-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxybenzoate Traditional Name: 6-[(S)-hydroxy-(4-keto-6-oxido-2-thioxo-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxy-benzoate Formula: C14H12N2O7S-2 MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=C(NC(=S)NC2=O)[O-])O)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@@H](C2=C(NC(=S)NC2=O)[O-])O)C(=O)[O-])OC

InChI

InChI=1S/C14H14N2O7S/c1-22-6-4-3-5(7(13(20)21)10(6)23-2)9(17)8-11(18)15-14(24)16-12(8)19/h3-4,9,17H,1-2H3,(H,20,21)(H3,15,16,18,19,24)/p-2/t9-/m0/s1