propan-2-yl 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]acetic acid isopropyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(C)(C)C)C#N

Isomeric SMILES

CC(C)OC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(C)(C)C)C#N

InChI

InChI=1S/C20H23N3O3S/c1-12(2)26-16(24)11-27-19-22-17(15(10-21)18(25)23-19)13-6-8-14(9-7-13)20(3,4)5/h6-9,12H,11H2,1-5H3,(H,22,23,25)