2-chloranyl-5-[[2-phenyl-2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2-phenyl-2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 2-chloro-5-[[2-phenyl-2-[4-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-phenyl-2-[4-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-phenyl-2-[[4-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H19ClN2O4S2 MolecularWeight: 523.02306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H19ClN2O4S2/c27-21-13-10-18(15-20(21)26(32)33)29-25(31)23(16-5-2-1-3-6-16)35-19-11-8-17(9-12-19)28-24(30)22-7-4-14-34-22/h1-15,23H,(H,28,30)(H,29,31)(H,32,33)