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

Systemtic Name: 7-oxidanylidene-8-(4-phenylmethoxyphenyl)-2-propyl-thieno[2,3-a]quinolizine-10-carboxylic acid Openeye Name: 8-(4-benzyloxyphenyl)-7-oxo-2-propyl-thieno[2,3-a]quinolizine-10-carboxylic acid CAS Name: 7-oxo-8-(4-phenylmethoxyphenyl)-2-propyl-10-thieno[2,3-a]quinolizinecarboxylic acid IUPAC Name: 7-oxo-8-(4-phenylmethoxyphenyl)-2-propylthieno[2,3-a]quinolizine-10-carboxylic acid Traditional Name: 8-(4-benzoxyphenyl)-7-keto-2-propyl-thieno[2,3-a]quinolizine-10-carboxylic acid Formula: C28H23NO4S MolecularWeight: 469.55152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C28H23NO4S/c1-2-6-22-15-20-13-14-29-25(26(20)34-22)24(28(31)32)16-23(27(29)30)19-9-11-21(12-10-19)33-17-18-7-4-3-5-8-18/h3-5,7-16H,2,6,17H2,1H3,(H,31,32)