2-oxidanyl-5-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[3-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H16N2O5S2 MolecularWeight: 428.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H16N2O5S2/c23-16-7-6-13(10-15(16)20(26)27)21-18(24)11-29-14-4-1-3-12(9-14)22-19(25)17-5-2-8-28-17/h1-10,23H,11H2,(H,21,24)(H,22,25)(H,26,27)