2-chloranyl-5-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzoic acid Formula: C14H12ClN3O5S MolecularWeight: 369.78018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCSC2=NC(=CC(=O)N2)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCSC2=NC(=CC(=O)N2)O)C(=O)O)Cl

InChI

InChI=1S/C14H12ClN3O5S/c15-9-2-1-7(5-8(9)13(22)23)16-10(19)3-4-24-14-17-11(20)6-12(21)18-14/h1-2,5-6H,3-4H2,(H,16,19)(H,22,23)(H2,17,18,20,21)