(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(methylsulfonylamino)benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(methylsulfonylamino)benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)NS(=O)(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)NS(=O)(=O)C)C

InChI

InChI=1S/C17H17N3O5S2/c1-9-10(2)26-16-14(9)15(21)18-13(19-16)8-25-17(22)11-5-4-6-12(7-11)20-27(3,23)24/h4-7,20H,8H2,1-3H3,(H,18,19,21)