2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-[3-(diethynylamino)propyl]-2-methyl-thiomorpholin-3-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-[3-(diethynylamino)propyl]-2-methyl-thiomorpholin-3-one Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-[3-(diethynylamino)propyl]-2-methyl-thiomorpholin-3-one CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-[3-(diethynylamino)propyl]-2-methyl-3-thiomorpholinone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-[3-(diethynylamino)propyl]-2-methylthiomorpholin-3-one Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-[3-(diethynylamino)propyl]-2-methyl-thiomorpholin-3-one Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CCS1)CCCN(C#C)C#C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1(C(=O)N(CCS1)CCCN(C#C)C#C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C26H36N2O2S/c1-10-27(11-2)13-12-14-28-15-16-31-26(9,23(28)30)19-17-20(24(3,4)5)22(29)21(18-19)25(6,7)8/h1-2,17-18,29H,12-16H2,3-9H3