(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C12H7N3O5S2 MolecularWeight: 337.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=C1NC(=NC2=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC2=C1NC(=NC2=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O5S2/c16-11-10-6(3-4-21-10)13-8(14-11)5-20-12(17)7-1-2-9(22-7)15(18)19/h1-4H,5H2,(H,13,14,16)