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

Systemtic Name: [2-[3-fluoranyl-4-(3-methylbutanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-2-methyl-propanoate Openeye Name: [2-[3-fluoro-4-(3-methylbutanoylamino)benzoyl]iminothiazol-3-yl]methyl 2-amino-2-methyl-propanoate CAS Name: 2-amino-2-methylpropanoic 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 2-amino-2-methylpropanoate Traditional Name: 2-amino-2-methyl-propionic acid [2-[3-fluoro-4-(isovalerylamino)benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C20H25FN4O4S MolecularWeight: 436.500303

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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)C(C)(C)N)F

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O4S/c1-12(2)9-16(26)23-15-6-5-13(10-14(15)21)17(27)24-19-25(7-8-30-19)11-29-18(28)20(3,4)22/h5-8,10,12H,9,11,22H2,1-4H3,(H,23,26)