[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C22H19BrN2O4S/c1-28-19-9-6-15(23)11-18(19)21-24-16(13-30-21)12-29-22(27)14-4-7-17(8-5-14)25-10-2-3-20(25)26/h4-9,11,13H,2-3,10,12H2,1H3