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

Systemtic Name: 4-methyl-3-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-(2-thenoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H20N2O4S2/c1-13-8-9-15(22(27)28)11-18(13)24-20(25)14(2)30-17-6-3-5-16(12-17)23-21(26)19-7-4-10-29-19/h3-12,14H,1-2H3,(H,23,26)(H,24,25)(H,27,28)