ethyl 4-fluoranyl-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-(pyrimidin-2-ylsulfanylmethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(2-pyrimidinylthio)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(2-pyrimidylthio)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C16H13FN2O2S2 MolecularWeight: 348.415023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=CC=N3

InChI

InChI=1S/C16H13FN2O2S2/c1-2-21-15(20)14-10(9-22-16-18-7-4-8-19-16)13-11(17)5-3-6-12(13)23-14/h3-8H,2,9H2,1H3