methyl 2-(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(6-chloro-4-phenyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(6-chloro-4-phenyl-2-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(6-chloro-4-phenyl-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C17H13ClN2O2S MolecularWeight: 344.81532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClN2O2S/c1-22-15(21)10-23-17-19-14-8-7-12(18)9-13(14)16(20-17)11-5-3-2-4-6-11/h2-9H,10H2,1H3