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

Systemtic Name: ethyl 3-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: ethyl 3-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: 3-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanoate Traditional Name: 3-[(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)CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H19IN2O3S/c1-2-26-18(24)10-11-27-20-22-17-9-8-15(21)12-16(17)19(25)23(20)13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3