4-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 4-[[2-(2-naphthylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 4-[[2-(2-naphthalenylmethylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 4-[[2-(2-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=C(C=CC2=C1)CSCC(=O)NC3=C(C=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSCC(=O)NC3=C(C=C(C=C3)C(=O)O)C(=O)O

InChI

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