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

Systemtic Name: [2-[3-fluoranyl-4-(3-methylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Openeye Name: [2-[3-fluoro-4-(3-methylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl pyrrolidine-2-carboxylate CAS Name: 2-pyrrolidinecarboxylic acid [2-[[3-fluoro-4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[3-fluoro-4-(3-methylbutanoylamino)benzoyl]imino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Traditional Name: pyrrolidine-2-carboxylic acid [2-[3-fluoro-4-(isovalerylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O4S/c1-13(2)10-18(27)24-16-6-5-14(11-15(16)22)19(28)25-21-26(8-9-31-21)12-30-20(29)17-4-3-7-23-17/h5-6,8-9,11,13,17,23H,3-4,7,10,12H2,1-2H3,(H,24,27)