[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H22FNO3S MolecularWeight: 363.446283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H22FNO3S/c1-12-16-14(20)8-7-9-15(16)25-17(12)19(23)24-13(2)18(22)21-10-5-3-4-6-11-21/h7-9,13H,3-6,10-11H2,1-2H3