5-[2-(4-methylphenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2-(4-methylphenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-(p-tolylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(p-tolylthio)acetyl]amino]isophthalate Formula: C17H13NO5S-2 MolecularWeight: 343.35382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-10-2-4-14(5-3-10)24-9-15(19)18-13-7-11(16(20)21)6-12(8-13)17(22)23/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23)/p-2