ethyl 2-(6-iodanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoate

Systemtic Name: ethyl 2-(6-iodanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoate Openeye Name: ethyl 2-(3-allyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: 2-[(6-iodo-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-allyl-6-iodo-4-keto-quinazolin-2-yl)thio]propionic acid ethyl ester Formula: C16H17IN2O3S MolecularWeight: 444.28725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC=C

InChI

InChI=1S/C16H17IN2O3S/c1-4-8-19-14(20)12-9-11(17)6-7-13(12)18-16(19)23-10(3)15(21)22-5-2/h4,6-7,9-10H,1,5,8H2,2-3H3