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

Systemtic Name: 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]thio]acetic acid IUPAC Name: 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]thio]acetic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)SCC(=O)O

InChI

InChI=1S/C16H12ClNO2S/c17-11-7-5-10(6-8-11)15-16(21-9-14(19)20)12-3-1-2-4-13(12)18-15/h1-8,18H,9H2,(H,19,20)