1-[(2-sulfanylphenyl)methyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[(2-sulfanylphenyl)methyl]pyrrole-2-carboxylic acid Openeye Name: 1-[(2-sulfanylphenyl)methyl]pyrrole-2-carboxylic acid CAS Name: 1-[(2-mercaptophenyl)methyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[(2-sulfanylphenyl)methyl]pyrrole-2-carboxylic acid Traditional Name: 1-(2-mercaptobenzyl)pyrrole-2-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC=C2C(=O)O)S

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC=C2C(=O)O)S

InChI

InChI=1S/C12H11NO2S/c14-12(15)10-5-3-7-13(10)8-9-4-1-2-6-11(9)16/h1-7,16H,8H2,(H,14,15)