1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-methyl-5-sulfamoyl-benzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C18H19N3O5S2/c1-8-5-6-12(28(19,24)25)7-13(8)18(23)26-10(3)15-20-16(22)14-9(2)11(4)27-17(14)21-15/h5-7,10H,1-4H3,(H2,19,24,25)(H,20,21,22)