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

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (2S)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OC(C)C(=O)NC3CC3

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)O[C@@H](C)C(=O)NC3CC3

InChI

InChI=1S/C17H22N2O5S/c1-10-8-13-9-12(4-7-15(13)19(10)25(3,22)23)17(21)24-11(2)16(20)18-14-5-6-14/h4,7,9-11,14H,5-6,8H2,1-3H3,(H,18,20)/t10-,11-/m0/s1