tert-butyl 4-[2-(5-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxylate

Systemtic Name: tert-butyl 4-[2-(5-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxylate Openeye Name: tert-butyl 4-[2-(5-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)ethyl]isoxazole-3-carboxylate CAS Name: 4-[2-[5-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]ethyl]-3-isoxazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxylate Traditional Name: 4-[2-[6-keto-5-methyl-2-(methylthio)pyrimidin-1-yl]ethyl]isoxazole-3-carboxylic acid tert-butyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N(C1=O)CCC2=CON=C2C(=O)OC(C)(C)C)SC

Isomeric SMILES

CC1=CN=C(N(C1=O)CCC2=CON=C2C(=O)OC(C)(C)C)SC

InChI

InChI=1S/C16H21N3O4S/c1-10-8-17-15(24-5)19(13(10)20)7-6-11-9-22-18-12(11)14(21)23-16(2,3)4/h8-9H,6-7H2,1-5H3