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

Systemtic Name: 2-oxidanyl-5-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-(2-thenoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H20N2O5S2/c1-2-18(20(26)24-14-8-9-17(25)16(12-14)22(28)29)31-15-6-3-5-13(11-15)23-21(27)19-7-4-10-30-19/h3-12,18,25H,2H2,1H3,(H,23,27)(H,24,26)(H,28,29)