5-(3-chlorophenyl)sulfanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(3-chlorophenyl)thio]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(3-chlorophenyl)thio]-1H-pyrrole-2-carboxylic acid Formula: C11H8ClNO2S MolecularWeight: 253.70472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)SC2=CC=C(N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)SC2=CC=C(N2)C(=O)O

InChI

InChI=1S/C11H8ClNO2S/c12-7-2-1-3-8(6-7)16-10-5-4-9(13-10)11(14)15/h1-6,13H,(H,14,15)