O1-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethyl] O3-ethyl 2-tert-butylpropanedioate

Systemtic Name: O1-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethyl] O3-ethyl 2-tert-butylpropanedioate Openeye Name: O1-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethyl] O3-ethyl 2-tert-butylpropanedioate CAS Name: 2-tert-butylpropanedioic acid O1-[2-[5-cyano-2-(methylthio)-6-(3-nitrophenyl)-4-pyrimidinyl]ethyl] ester O3-ethyl ester IUPAC Name: 1-O-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethyl] 3-O-ethyl 2-tert-butylpropanedioate Traditional Name: 2-tert-butylmalonic acid O1-[2-[5-cyano-2-(methylthio)-6-(3-nitrophenyl)pyrimidin-4-yl]ethyl] ester O3-ethyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCCC1=NC(=NC(=C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])SC)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCCC1=NC(=NC(=C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])SC)C(C)(C)C

InChI

InChI=1S/C23H26N4O6S/c1-6-32-20(28)18(23(2,3)4)21(29)33-11-10-17-16(13-24)19(26-22(25-17)34-5)14-8-7-9-15(12-14)27(30)31/h7-9,12,18H,6,10-11H2,1-5H3