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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic 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-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-5-8-21-12(2)9-15(13(21)3)18(22)11-26-19(23)16-10-14(27(4,24)25)6-7-17(16)20/h5-7,9-10H,1,8,11H2,2-4H3