[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

InChI

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