(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic 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 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H11ClN2O5S2 MolecularWeight: 398.84124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C15H11ClN2O5S2/c1-25(21,22)8-2-3-10(16)9(6-8)15(20)23-7-12-17-11-4-5-24-13(11)14(19)18-12/h2-6H,7H2,1H3,(H,17,18,19)