[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O3S/c19-14-7-5-13(6-8-14)17-20-15(12-25-17)18(23)24-11-16(22)21-9-3-1-2-4-10-21/h5-8,12H,1-4,9-11H2