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

Systemtic Name: 2-ethyl-7-oxidanylidene-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-10-carboxylic acid Openeye Name: 8-(4-benzyloxyphenyl)-2-ethyl-7-oxo-thieno[2,3-a]quinolizine-10-carboxylic acid CAS Name: 2-ethyl-7-oxo-8-(4-phenylmethoxyphenyl)-10-thieno[2,3-a]quinolizinecarboxylic acid IUPAC Name: 2-ethyl-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-10-carboxylic acid Traditional Name: 8-(4-benzoxyphenyl)-2-ethyl-7-keto-thieno[2,3-a]quinolizine-10-carboxylic acid Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H21NO4S/c1-2-21-14-19-12-13-28-24(25(19)33-21)23(27(30)31)15-22(26(28)29)18-8-10-20(11-9-18)32-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,30,31)