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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18N2O4S2/c1-13-4-5-14(21(26)27)11-17(13)23-19(24)12-29-16-8-6-15(7-9-16)22-20(25)18-3-2-10-28-18/h2-11H,12H2,1H3,(H,22,25)(H,23,24)(H,26,27)