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

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

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NC(=CC(=O)N2)O

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C14H12ClN3O5S/c1-6(24-14-17-10(19)5-11(20)18-14)12(21)16-9-4-7(13(22)23)2-3-8(9)15/h2-6H,1H3,(H,16,21)(H,22,23)(H2,17,18,19,20)