[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl (2R)-5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl (2R)-5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl (2R)-5-oxopyrrolidine-2-carboxylate CAS Name: (2R)-5-oxo-2-pyrrolidinecarboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl (2R)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2R)-5-ketopyrrolidine-2-carboxylic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3CCC(=O)N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)[C@H]3CCC(=O)N3

InChI

InChI=1S/C16H15BrN2O4S/c1-22-13-4-2-9(17)6-11(13)15-18-10(8-24-15)7-23-16(21)12-3-5-14(20)19-12/h2,4,6,8,12H,3,5,7H2,1H3,(H,19,20)/t12-/m1/s1