3-(carboxymethylsulfanyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-1H-indole-2-carboxylic acid Openeye Name: 3-(carboxymethylsulfanyl)-1H-indole-2-carboxylic acid CAS Name: 3-(carboxymethylthio)-1H-indole-2-carboxylic acid IUPAC Name: 3-(carboxymethylsulfanyl)-1H-indole-2-carboxylic acid Traditional Name: 3-(carboxymethylthio)-1H-indole-2-carboxylic acid Formula: C11H9NO4S MolecularWeight: 251.25846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)SCC(=O)O

InChI

InChI=1S/C11H9NO4S/c13-8(14)5-17-10-6-3-1-2-4-7(6)12-9(10)11(15)16/h1-4,12H,5H2,(H,13,14)(H,15,16)