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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethyl-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)OCC4=NOC(=C4)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)OCC4=NOC(=C4)C)C

InChI

InChI=1S/C21H19N3O4S/c1-4-16-12(3)29-20-17(16)19(25)22-18(23-20)13-5-7-14(8-6-13)21(26)27-10-15-9-11(2)28-24-15/h5-9H,4,10H2,1-3H3,(H,22,23,25)