ethyl 3-(quinazolin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-(quinazolin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(quinazolin-4-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4-quinazolinylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(quinazolin-4-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(quinazolin-4-ylthio)methyl]coumarilic acid ethyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H16N2O3S/c1-2-24-20(23)18-15(13-7-4-6-10-17(13)25-18)11-26-19-14-8-3-5-9-16(14)21-12-22-19/h3-10,12H,2,11H2,1H3