(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic 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 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H11N3O5S2 MolecularWeight: 377.39494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S2/c1-24-11-3-2-8(6-10(11)18(21)22)15(20)23-7-12-16-9-4-5-25-13(9)14(19)17-12/h2-6H,7H2,1H3,(H,16,17,19)