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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-(2-ethoxyphenoxy)sulfonylbenzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-(2-ethoxyphenoxy)sulfonylbenzoate CAS Name: 3-(2-ethoxyphenoxy)sulfonylbenzoic 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 3-(2-ethoxyphenoxy)sulfonylbenzoate Traditional Name: 3-(2-ethoxyphenoxy)sulfonylbenzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C25H24N2O7S2 MolecularWeight: 528.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C25H24N2O7S2/c1-5-32-19-11-6-7-12-20(19)34-36(30,31)18-10-8-9-17(13-18)25(29)33-15(3)22-26-23(28)21-14(2)16(4)35-24(21)27-22/h6-13,15H,5H2,1-4H3,(H,26,27,28)