2-(5-chloranyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(5-chloranyl-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(5-chloro-2-pyrrol-1-yl-phenyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[5-chloro-2-(1-pyrrolyl)phenyl]thio]-2-phenylacetic acid IUPAC Name: 2-(5-chloro-2-pyrrol-1-ylphenyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(5-chloro-2-pyrrol-1-yl-phenyl)thio]-2-phenyl-acetic acid Formula: C18H14ClNO2S MolecularWeight: 343.82726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC(=C2)Cl)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC(=C2)Cl)N3C=CC=C3

InChI

InChI=1S/C18H14ClNO2S/c19-14-8-9-15(20-10-4-5-11-20)16(12-14)23-17(18(21)22)13-6-2-1-3-7-13/h1-12,17H,(H,21,22)