(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate CAS Name: 1-(2-pyrimidinyl)-3-piperidinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 1-pyrimidin-2-ylpiperidine-3-carboxylate Traditional Name: 1-(2-pyrimidyl)nipecotic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C22H22FN3O4S/c1-2-29-21(28)19-15(18-16(23)7-3-8-17(18)31-19)13-30-20(27)14-6-4-11-26(12-14)22-24-9-5-10-25-22/h3,5,7-10,14H,2,4,6,11-13H2,1H3