[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) (2S)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O5S/c1-14-11-17-12-16(7-8-19(17)23(14)29(2,26)27)21(25)28-13-20(24)22-10-9-15-5-3-4-6-18(15)22/h3-8,12,14H,9-11,13H2,1-2H3/t14-/m0/s1