2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoic acid Openeye Name: 2-(1-benzylindol-3-yl)sulfanylacetic acid CAS Name: 2-[[1-(phenylmethyl)-3-indolyl]thio]acetic acid IUPAC Name: 2-(1-benzylindol-3-yl)sulfanylacetic acid Traditional Name: 2-[(1-benzylindol-3-yl)thio]acetic acid Formula: C17H15NO2S MolecularWeight: 297.3715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C17H15NO2S/c19-17(20)12-21-16-11-18(10-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-9,11H,10,12H2,(H,19,20)