[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19NO7S/c1-29(24,25)21-9-8-13-10-14(6-7-15(13)21)16(22)11-27-20(23)19-12-26-17-4-2-3-5-18(17)28-19/h2-7,10,19H,8-9,11-12H2,1H3/t19-/m1/s1