4-[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C1C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2OC3=C1C(=NC(=N3)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H19N3O4S/c30-22(27-19-12-10-17(11-13-19)26(31)32)15-34-25-20-14-18-8-4-5-9-21(18)33-24(20)28-23(29-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,31,32)