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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic 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 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H22N4O5S2/c1-23(2)31(27,28)13-5-6-16(24-8-3-4-9-24)14(11-13)20(26)29-12-17-21-15-7-10-30-18(15)19(25)22-17/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,21,22,25)