2-[5-(4-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-(4-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[5-[(4-chlorophenyl)thio]-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[5-(4-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[5-[(4-chlorophenyl)thio]-1H-pyrrol-3-yl]acetic acid Formula: C12H10ClNO2S MolecularWeight: 267.7313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC(=CN2)CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=CC(=CN2)CC(=O)O)Cl

InChI

InChI=1S/C12H10ClNO2S/c13-9-1-3-10(4-2-9)17-11-5-8(7-14-11)6-12(15)16/h1-5,7,14H,6H2,(H,15,16)