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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-13-4-6-17(14(2)10-13)19(22)12-26-20(23)16-5-7-18-15(11-16)8-9-21(18)27(3,24)25/h4-7,10-11H,8-9,12H2,1-3H3