ethyl 4-fluoranyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(2-methyl-4-quinazolinyl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(2-methylquinazolin-4-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17FN2O2S2 MolecularWeight: 412.500283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H17FN2O2S2/c1-3-26-21(25)19-14(18-15(22)8-6-10-17(18)28-19)11-27-20-13-7-4-5-9-16(13)23-12(2)24-20/h4-10H,3,11H2,1-2H3