1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: 1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: 1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 4-[(3-nitrophenyl)sulfonylamino]benzoic acid 1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(3-nitrophenyl)sulfonylamino]benzoic acid 1-(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C27H20N4O7S2 MolecularWeight: 576.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)OC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)OC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O7S2/c1-16(24-28-25(32)23-22(15-39-26(23)29-24)17-6-3-2-4-7-17)38-27(33)18-10-12-19(13-11-18)30-40(36,37)21-9-5-8-20(14-21)31(34)35/h2-16,30H,1H3,(H,28,29,32)