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

Systemtic Name: 2-methyl-7-oxidanylidene-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-10-carboxylic acid Openeye Name: 8-(4-benzyloxyphenyl)-2-methyl-7-oxo-thieno[2,3-a]quinolizine-10-carboxylic acid CAS Name: 2-methyl-7-oxo-8-(4-phenylmethoxyphenyl)-10-thieno[2,3-a]quinolizinecarboxylic acid IUPAC Name: 2-methyl-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-10-carboxylic acid Traditional Name: 8-(4-benzoxyphenyl)-7-keto-2-methyl-thieno[2,3-a]quinolizine-10-carboxylic acid Formula: C26H19NO4S MolecularWeight: 441.49836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C3=C(C=C(C(=O)N3C=C2)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC2=C(S1)C3=C(C=C(C(=O)N3C=C2)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H19NO4S/c1-16-13-19-11-12-27-23(24(19)32-16)22(26(29)30)14-21(25(27)28)18-7-9-20(10-8-18)31-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,29,30)