(2R)-2-phenyl-2-quinazolin-4-ylsulfanyl-ethanoate

Systemtic Name: (2R)-2-phenyl-2-quinazolin-4-ylsulfanyl-ethanoate Openeye Name: (2R)-2-phenyl-2-quinazolin-4-ylsulfanyl-acetate CAS Name: (2R)-2-phenyl-2-(4-quinazolinylthio)acetate IUPAC Name: (2R)-2-phenyl-2-quinazolin-4-ylsulfanylacetate Traditional Name: (2R)-2-phenyl-2-(quinazolin-4-ylthio)acetate Formula: C16H11N2O2S- MolecularWeight: 295.33574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)[O-])SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H12N2O2S/c19-16(20)14(11-6-2-1-3-7-11)21-15-12-8-4-5-9-13(12)17-10-18-15/h1-10,14H,(H,19,20)/p-1/t14-/m1/s1