ethyl 4-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23FN2O4S MolecularWeight: 394.460323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H23FN2O4S/c1-3-25-18(23)17-13(16-14(20)6-5-7-15(16)27-17)12-21-8-10-22(11-9-21)19(24)26-4-2/h5-7H,3-4,8-12H2,1-2H3