4-[(E)-3-oxidanylidene-2-(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-yl-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-oxidanylidene-2-(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-yl-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-oxo-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-yl-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-oxo-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(1-pyrrolidinyl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-oxo-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidin-1-ylprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-2-(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidino-prop-1-enyl]benzoic acid Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCN(C1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C26H21N3O4S/c30-23-20-15-21(17-6-2-1-3-7-17)34-24(20)28-22(27-23)19(25(31)29-12-4-5-13-29)14-16-8-10-18(11-9-16)26(32)33/h1-3,6-11,14-15H,4-5,12-13H2,(H,32,33)(H,27,28,30)/b19-14+