[2-[3-bromanyl-4-(3,3-dimethylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate

Systemtic Name: [2-[3-bromanyl-4-(3,3-dimethylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Openeye Name: [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl pyrrolidine-2-carboxylate CAS Name: 2-pyrrolidinecarboxylic acid [2-[[3-bromo-4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]imino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Traditional Name: pyrrolidine-2-carboxylic acid [2-[3-bromo-4-(3,3-dimethylbutanoylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C22H27BrN4O4S MolecularWeight: 523.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCCN3)Br

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCCN3)Br

InChI

InChI=1S/C22H27BrN4O4S/c1-22(2,3)12-18(28)25-16-7-6-14(11-15(16)23)19(29)26-21-27(9-10-32-21)13-31-20(30)17-5-4-8-24-17/h6-7,9-11,17,24H,4-5,8,12-13H2,1-3H3,(H,25,28)