tert-butyl 2-[5-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-2-(methylthio)-6-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-oxopyrimidin-1-yl]acetate Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)-6-keto-2-(methylthio)pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)C(=CN=C1SC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C(=CN=C1SC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O5S/c1-18(2,3)25-15(21)9-20-16(22)12(8-19-17(20)26-4)11-5-6-13-14(7-11)24-10-23-13/h5-8H,9-10H2,1-4H3