methyl N'-[(2E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methoxyimino-propanoyl]-N-methoxy-carbamimidothioate

Systemtic Name: methyl N'-[(2E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methoxyimino-propanoyl]-N-methoxy-carbamimidothioate Openeye Name: (2E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[(methoxyamino)-methylsulfanyl-methylene]-2-methoxyimino-propanamide CAS Name: N'-[(2E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyimino-1-oxopropyl]-N-methoxycarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(2E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyiminopropanoyl]-N-methoxycarbamimidothioate Traditional Name: (2E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[(methoxyamino)-(methylthio)methylene]-2-methyloximino-propionamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=NOC)C(=O)N=C(NOC)SC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C/C(=N\OC)/C(=O)N=C(NOC)SC

InChI

InChI=1S/C21H33N3O4S/c1-20(2,3)14-10-13(11-15(17(14)25)21(4,5)6)12-16(23-27-7)18(26)22-19(29-9)24-28-8/h10-11,25H,12H2,1-9H3,(H,22,24,26)/b23-16+