ethyl 2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: 2-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]propionic acid ethyl ester Formula: C20H19IN2O3S MolecularWeight: 494.34593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H19IN2O3S/c1-3-26-19(25)13(2)27-20-22-17-10-9-15(21)11-16(17)18(24)23(20)12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3