[(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)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-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [(1S)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO4S/c1-13(27-20(25)12-28-18-6-4-17(22)5-7-18)21(26)16-3-8-19-15(11-16)9-10-23(19)14(2)24/h3-8,11,13H,9-10,12H2,1-2H3/t13-/m0/s1