ethyl 4-fluoranyl-3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H21FN2O5S3 MolecularWeight: 496.595243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21FN2O5S3/c1-2-29-21(25)20-15(19-16(22)4-3-5-17(19)31-20)13-30-18-7-6-14(12-23-18)32(26,27)24-8-10-28-11-9-24/h3-7,12H,2,8-11,13H2,1H3