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

Systemtic Name: ethyl 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C22H32N2O3S/c1-9-27-19(26)16-12(2)23-20(28)24-17(16)13-10-14(21(3,4)5)18(25)15(11-13)22(6,7)8/h10-11,17,25H,9H2,1-8H3,(H2,23,24,28)