[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C23H25NO6S/c1-15-4-7-20(8-5-15)31(28,29)13-11-22(26)30-16(2)23(27)19-6-9-21-18(14-19)10-12-24(21)17(3)25/h4-9,14,16H,10-13H2,1-3H3