tert-butyl 2-sulfanyl-4-(4,5,6-trimethylpyrimidin-2-yl)benzoate

Systemtic Name: tert-butyl 2-sulfanyl-4-(4,5,6-trimethylpyrimidin-2-yl)benzoate Openeye Name: tert-butyl 2-sulfanyl-4-(4,5,6-trimethylpyrimidin-2-yl)benzoate CAS Name: 2-mercapto-4-(4,5,6-trimethyl-2-pyrimidinyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-sulfanyl-4-(4,5,6-trimethylpyrimidin-2-yl)benzoate Traditional Name: 2-mercapto-4-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid tert-butyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)C2=CC(=C(C=C2)C(=O)OC(C)(C)C)S)C

Isomeric SMILES

CC1=C(N=C(N=C1C)C2=CC(=C(C=C2)C(=O)OC(C)(C)C)S)C

InChI

InChI=1S/C18H22N2O2S/c1-10-11(2)19-16(20-12(10)3)13-7-8-14(15(23)9-13)17(21)22-18(4,5)6/h7-9,23H,1-6H3