(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H13FN2O4S2 MolecularWeight: 404.435223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H13FN2O4S2/c1-24-7-9-14-10(19)3-2-4-12(14)27-15(9)18(23)25-8-13-20-11-5-6-26-16(11)17(22)21-13/h2-6H,7-8H2,1H3,(H,20,21,22)