4-pyrrolidin-1-ylbut-2-ynyl 7-oxidanylidene-8-phenyl-thieno[2,3-a]quinolizine-10-carboxylate

Systemtic Name: 4-pyrrolidin-1-ylbut-2-ynyl 7-oxidanylidene-8-phenyl-thieno[2,3-a]quinolizine-10-carboxylate Openeye Name: 4-pyrrolidin-1-ylbut-2-ynyl 7-oxo-8-phenyl-thieno[2,3-a]quinolizine-10-carboxylate CAS Name: 7-oxo-8-phenyl-10-thieno[2,3-a]quinolizinecarboxylic acid 4-(1-pyrrolidinyl)but-2-ynyl ester IUPAC Name: 4-pyrrolidin-1-ylbut-2-ynyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate Traditional Name: 7-keto-8-phenyl-thieno[2,3-a]quinolizine-10-carboxylic acid 4-pyrrolidinobut-2-ynyl ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCOC(=O)C2=C3C4=C(C=CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4

Isomeric SMILES

C1CCN(C1)CC#CCOC(=O)C2=C3C4=C(C=CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4

InChI

InChI=1S/C26H22N2O3S/c29-25-21(19-8-2-1-3-9-19)18-22(23-24-20(11-17-32-24)10-15-28(23)25)26(30)31-16-7-6-14-27-12-4-5-13-27/h1-3,8-11,15,17-18H,4-5,12-14,16H2