(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloranyl-2-nitro-benzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H12ClN3O5S MolecularWeight: 441.84438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H12ClN3O5S/c21-12-6-7-15(24(27)28)13(8-12)20(26)29-9-16-22-18(25)17-14(10-30-19(17)23-16)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,22,23,25)