methyl (4R)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C21H30N2O3S/c1-11-15(18(25)26-8)16(23-19(27)22-11)12-9-13(20(2,3)4)17(24)14(10-12)21(5,6)7/h9-10,16,24H,1-8H3,(H2,22,23,27)/t16-/m1/s1