[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C20H21NO7S/c1-26-18-7-5-15(11-19(18)27-2)20(23)28-12-17(22)14-4-6-16-13(10-14)8-9-21(16)29(3,24)25/h4-7,10-11H,8-9,12H2,1-3H3