(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C24H20N4O5S MolecularWeight: 476.5044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S/c29-22-21-17(15-6-2-1-3-7-15)14-34-23(21)26-20(25-22)13-33-24(30)16-8-9-18(19(12-16)28(31)32)27-10-4-5-11-27/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,25,26,29)