[2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-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] 4-cyanobenzoate Traditional Name: 4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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