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

Systemtic Name: [2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[(2S)-1-mesyl-2-methyl-indolin-5-yl]ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N2O5S/c1-13-8-17-10-15(6-7-18(17)22(13)28(2,25)26)19(23)12-27-20(24)16-5-3-4-14(9-16)11-21/h3-7,9-10,13H,8,12H2,1-2H3/t13-/m0/s1