4-[[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]methyl]benzoate Formula: C20H18NO3S- MolecularWeight: 352.42682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H19NO3S/c1-12-18(16-5-3-4-6-17(16)21-12)19(22)13(2)25-11-14-7-9-15(10-8-14)20(23)24/h3-10,13,21H,11H2,1-2H3,(H,23,24)/p-1/t13-/m0/s1