[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C22H27NO5S/c1-14-10-19(15(2)23(14)12-16-6-5-9-27-16)20(24)13-28-22(25)18-8-7-17(29-4)11-21(18)26-3/h7-8,10-11,16H,5-6,9,12-13H2,1-4H3