ethyl (2S)-2-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoate Openeye Name: ethyl (2S)-2-(6-iodo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoate CAS Name: (2S)-2-[(6-iodo-4-oxo-3-phenyl-2-quinazolinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(6-iodo-4-keto-3-phenyl-quinazolin-2-yl)thio]propionic acid ethyl ester Formula: C19H17IN2O3S MolecularWeight: 480.31935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C19H17IN2O3S/c1-3-25-18(24)12(2)26-19-21-16-10-9-13(20)11-15(16)17(23)22(19)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/t12-/m0/s1