5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(3-methylbenzyl)thio]acetyl]amino]isophthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO5S/c1-11-3-2-4-12(5-11)9-25-10-16(20)19-15-7-13(17(21)22)6-14(8-15)18(23)24/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)(H,23,24)