[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2R)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2R)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC3=C(C=C2)N(C(C3)C)S(=O)(=O)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC3=C(C=C2)N([C@@H](C3)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O5S/c1-6-22-13(2)10-18(15(22)4)20(24)12-28-21(25)16-7-8-19-17(11-16)9-14(3)23(19)29(5,26)27/h7-8,10-11,14H,6,9,12H2,1-5H3/t14-/m1/s1