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

Systemtic Name: 2,3-dimethoxy-6-[(S)-oxidanyl-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]benzoic acid Openeye Name: 6-[(S)-hydroxy-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(S)-hydroxy-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(S)-hydroxy-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(S)-hydroxy-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)methyl]-2,3-dimethoxy-benzoic acid Formula: C14H14N2O7S MolecularWeight: 354.33516

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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)/t9-/m0/s1