[(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [(1S)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)O[C@@H](C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C22H23NO4S/c1-14-6-4-5-7-20(14)28-13-21(25)27-15(2)22(26)18-8-9-19-17(12-18)10-11-23(19)16(3)24/h4-9,12,15H,10-11,13H2,1-3H3/t15-/m0/s1