2-iodanyl-7-oxidanylidene-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-10-carboxylic acid

Systemtic Name: 2-iodanyl-7-oxidanylidene-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-10-carboxylic acid Openeye Name: 8-(4-benzyloxyphenyl)-2-iodo-7-oxo-thieno[2,3-a]quinolizine-10-carboxylic acid CAS Name: 2-iodo-7-oxo-8-(4-phenylmethoxyphenyl)-10-thieno[2,3-a]quinolizinecarboxylic acid IUPAC Name: 2-iodo-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-10-carboxylic acid Traditional Name: 8-(4-benzoxyphenyl)-2-iodo-7-keto-thieno[2,3-a]quinolizine-10-carboxylic acid Formula: C25H16INO4S MolecularWeight: 553.36831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC(=C4C5=C(C=CN4C3=O)C=C(S5)I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC(=C4C5=C(C=CN4C3=O)C=C(S5)I)C(=O)O

InChI

InChI=1S/C25H16INO4S/c26-21-12-17-10-11-27-22(23(17)32-21)20(25(29)30)13-19(24(27)28)16-6-8-18(9-7-16)31-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,29,30)