[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate

Systemtic Name: [2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate Openeye Name: [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=CSC(=N1)COC2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC1=CSC(=N1)COC2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21FN2O4S/c1-15(24-22(27)16-5-3-2-4-6-16)11-21(26)29-12-18-14-30-20(25-18)13-28-19-9-7-17(23)8-10-19/h2-10,14-15H,11-13H2,1H3,(H,24,27)