1-[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 2-nitrobenzoate

Systemtic Name: 1-[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 2-nitrobenzoate Openeye Name: 1-[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 1-[5-(2-furanyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl ester IUPAC Name: 1-[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 1-[5-(2-furyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl ester Formula: C19H13N3O6S MolecularWeight: 411.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O6S/c1-10(28-19(24)11-5-2-3-6-13(11)22(25)26)16-20-17(23)15-12(9-29-18(15)21-16)14-7-4-8-27-14/h2-10H,1H3,(H,20,21,23)