ethyl 2-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-fluoranyl-benzoate

Systemtic Name: ethyl 2-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-fluoranyl-benzoate Openeye Name: ethyl 2-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-4-fluoro-benzoate CAS Name: 2-[4-(1-azepanyl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-4-fluorobenzoate Traditional Name: 2-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-4-fluoro-benzoic acid ethyl ester Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)F)C2N(OC(N2N3CCCCCC3)C4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)F)C2N(OC(N2N3CCCCCC3)C4=CC=CS4)C

InChI

InChI=1S/C22H28FN3O3S/c1-3-28-22(27)17-11-10-16(23)15-18(17)20-24(2)29-21(19-9-8-14-30-19)26(20)25-12-6-4-5-7-13-25/h8-11,14-15,20-21H,3-7,12-13H2,1-2H3