[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate CAS Name: (2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: (2S)-2-(pivaloylamino)propionic acid [2-(1-esylindolin-5-yl)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C(C)NC(=O)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C

InChI

InChI=1S/C20H28N2O6S/c1-6-29(26,27)22-10-9-14-11-15(7-8-16(14)22)17(23)12-28-18(24)13(2)21-19(25)20(3,4)5/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,21,25)/t13-/m0/s1