3-[2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-(thiophene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(thiophene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-(2-thenoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c1-13(19(24)23-16-5-2-4-14(12-16)21(26)27)29-17-9-7-15(8-10-17)22-20(25)18-6-3-11-28-18/h2-13H,1H3,(H,22,25)(H,23,24)(H,26,27)