2-[(5-methyl-2-phenyl-1H-indol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-methyl-2-phenyl-1H-indol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-methyl-2-phenyl-1H-indol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-methyl-2-phenyl-1H-indol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-methyl-2-phenyl-1H-indol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-methyl-2-phenyl-1H-indol-3-yl)thio]acetic acid Formula: C17H15NO2S MolecularWeight: 297.3715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO2S/c1-11-7-8-14-13(9-11)17(21-10-15(19)20)16(18-14)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)