[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C

InChI

InChI=1S/C20H23NO5S/c1-5-11-21-14(3)12-17(15(21)4)18(22)13-26-20(23)16-9-7-8-10-19(16)27(24,25)6-2/h5,7-10,12H,1,6,11,13H2,2-4H3