(2-oxidanylideneazepan-3-yl) 2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (2-oxoazepan-3-yl) 2-[(4-fluorophenoxy)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-5-thiazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-thiazole-5-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C18H19FN2O4S MolecularWeight: 378.417863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OC3CCCCNC3=O

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OC3CCCCNC3=O

InChI

InChI=1S/C18H19FN2O4S/c1-11-16(18(23)25-14-4-2-3-9-20-17(14)22)26-15(21-11)10-24-13-7-5-12(19)6-8-13/h5-8,14H,2-4,9-10H2,1H3,(H,20,22)