5-[2-(4-chlorophenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(4-chlorophenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]amino]isophthalic acid Formula: C16H12ClNO5S MolecularWeight: 365.78818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C16H12ClNO5S/c17-11-1-3-13(4-2-11)24-8-14(19)18-12-6-9(15(20)21)5-10(7-12)16(22)23/h1-7H,8H2,(H,18,19)(H,20,21)(H,22,23)