[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C)C

InChI

InChI=1S/C21H23NO5S/c1-13-9-15(3)18(10-14(13)2)20(23)12-27-21(24)17-5-6-19-16(11-17)7-8-22(19)28(4,25)26/h5-6,9-11H,7-8,12H2,1-4H3