ethyl 4-[6-iodanyl-4-oxidanylidene-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-iodanyl-4-oxidanylidene-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-iodo-4-oxo-2-[(E)-2-(2-thienyl)vinyl]quinazolin-3-yl]benzoate CAS Name: 4-[6-iodo-4-oxo-2-[(E)-2-thiophen-2-ylethenyl]-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-iodo-4-oxo-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-3-yl]benzoate Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-(2-thienyl)vinyl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C23H17IN2O3S MolecularWeight: 528.36215

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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)C=CC4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C23H17IN2O3S/c1-2-29-23(28)15-5-8-17(9-6-15)26-21(12-10-18-4-3-13-30-18)25-20-11-7-16(24)14-19(20)22(26)27/h3-14H,2H2,1H3/b12-10+