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

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-[(3-methylisoxazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-5-isoxazolyl)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-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methylisoxazol-5-yl)methylthio]benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C22H22N2O5S/c1-12-9-16(29-24-12)11-30-19-8-6-5-7-17(19)22(27)28-10-18(26)21-13(2)20(15(4)25)14(3)23-21/h5-9,23H,10-11H2,1-4H3