[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C)C

InChI

InChI=1S/C22H24N2O4S/c1-5-24-14(2)10-19(16(24)4)20(25)12-27-22(26)18-8-6-7-9-21(18)29-13-17-11-15(3)28-23-17/h6-11H,5,12-13H2,1-4H3