ethyl 4-(6-iodanyl-4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)benzoate

Systemtic Name: ethyl 4-(6-iodanyl-4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)benzoate Openeye Name: ethyl 4-[6-iodo-4-oxo-2-(2-thienyl)quinazolin-3-yl]benzoate CAS Name: 4-(6-iodo-4-oxo-2-thiophen-2-yl-3-quinazolinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-iodo-4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzoate Traditional Name: 4-[6-iodo-4-keto-2-(2-thienyl)quinazolin-3-yl]benzoic acid ethyl ester Formula: C21H15IN2O3S MolecularWeight: 502.32487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4

InChI

InChI=1S/C21H15IN2O3S/c1-2-27-21(26)13-5-8-15(9-6-13)24-19(18-4-3-11-28-18)23-17-10-7-14(22)12-16(17)20(24)25/h3-12H,2H2,1H3