ethyl 4-fluoranyl-3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(3-oxo-1-piperazin-1-iumyl)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(3-oxopiperazin-1-ium-1-yl)methyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(3-ketopiperazin-1-ium-1-yl)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C16H18FN2O3S+ MolecularWeight: 337.389123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H17FN2O3S/c1-2-22-16(21)15-10(8-19-7-6-18-13(20)9-19)14-11(17)4-3-5-12(14)23-15/h3-5H,2,6-9H2,1H3,(H,18,20)/p+1