4-chloranyl-3-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-phenyl-2-[[3-(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=C(C=CC(=C2)C(=O)O)Cl)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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