(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13N3O6S2 MolecularWeight: 419.43162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=NC=NC4=C3C=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=NC=NC4=C3C=CS4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S2/c21-14(7-28-17-13-1-2-27-16(13)18-8-19-17)25-6-11-4-12(20(22)23)3-10-5-24-9-26-15(10)11/h1-4,8H,5-7,9H2