4-[3-oxidanyl-3-oxidanylidene-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-1-enyl]benzoic acid

Systemtic Name: 4-[3-oxidanyl-3-oxidanylidene-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-1-enyl]benzoic acid Openeye Name: 4-[3-hydroxy-3-oxo-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-1-enyl]benzoic acid CAS Name: 4-[3-hydroxy-3-oxo-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]prop-1-enyl]benzoic acid IUPAC Name: 4-[3-hydroxy-3-oxo-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-1-enyl]benzoic acid Traditional Name: 4-[3-hydroxy-3-keto-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]prop-1-enyl]benzoic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC1=O)SC(=CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(NC1=O)SC(=CC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H12N2O5S/c17-11-5-6-15-14(16-11)22-10(13(20)21)7-8-1-3-9(4-2-8)12(18)19/h1-4,7H,5-6H2,(H,18,19)(H,20,21)(H,15,16,17)