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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-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-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-12-9-14-10-13(5-6-15(14)20(12)26(3,23)24)17(22)25-11-16(21)19(2)8-4-7-18/h5-6,10,12H,4,8-9,11H2,1-3H3/t12-/m0/s1