(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C12H7N3O5S2 MolecularWeight: 337.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=NC(=CC(=O)N21)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC2=NC(=CC(=O)N21)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

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