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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic 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-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C16H9N3O5S2 MolecularWeight: 387.38976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

InChI

InChI=1S/C16H9N3O5S2/c20-14-7-10(17-16-18(14)3-4-25-16)8-24-15(21)13-6-9-5-11(19(22)23)1-2-12(9)26-13/h1-7H,8H2