[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=CC=C2SC[C@H]3CCCO3

InChI

InChI=1S/C22H25NO5S/c1-13-20(15(3)24)14(2)23-21(13)18(25)11-28-22(26)17-8-4-5-9-19(17)29-12-16-7-6-10-27-16/h4-5,8-9,16,23H,6-7,10-12H2,1-3H3/t16-/m1/s1