propan-2-yl 4-[[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: propan-2-yl 4-[[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: isopropyl 4-[[5-(4-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid isopropyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5S/c1-14(2)31-23(28)17-5-3-15(4-6-17)11-25-13-24-21-20(22(25)27)19(12-32-21)16-7-9-18(10-8-16)26(29)30/h3-10,12-14H,11H2,1-2H3