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

Systemtic Name: [2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C20H21NO5S/c1-13-4-5-17(10-14(13)2)20(23)26-12-19(22)16-6-7-18-15(11-16)8-9-21(18)27(3,24)25/h4-7,10-11H,8-9,12H2,1-3H3