5-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(1-naphthylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(1-naphthylmethylthio)acetyl]amino]isophthalic acid Formula: C21H17NO5S MolecularWeight: 395.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H17NO5S/c23-19(22-17-9-15(20(24)25)8-16(10-17)21(26)27)12-28-11-14-6-3-5-13-4-1-2-7-18(13)14/h1-10H,11-12H2,(H,22,23)(H,24,25)(H,26,27)