(3-fluoranyl-4-methoxy-phenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C17H21FN2O3S MolecularWeight: 352.423643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H21FN2O3S/c1-11(2)6-7-19-17-20-14(10-24-17)16(21)23-9-12-4-5-15(22-3)13(18)8-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,20)