4-[(E)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-pyrrolidino-prop-1-enyl]benzoate Formula: C22H20N3O4S- MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC=C(C=C3)C(=O)[O-])C(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C\C3=CC=C(C=C3)C(=O)[O-])/C(=O)N4CCCC4)C

InChI

InChI=1S/C22H21N3O4S/c1-12-13(2)30-20-17(12)19(26)23-18(24-20)16(21(27)25-9-3-4-10-25)11-14-5-7-15(8-6-14)22(28)29/h5-8,11H,3-4,9-10H2,1-2H3,(H,28,29)(H,23,24,26)/p-1/b16-11+