(5Z)-2-azanyl-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one; methanesulfonate

Systemtic Name: (5Z)-2-azanyl-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one; methanesulfonate Openeye Name: (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazol-4-one; methanesulfonate CAS Name: (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-thiazolone; methanesulfonate IUPAC Name: (5Z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one; methanesulfonate Traditional Name: (5Z)-2-amino-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)-2-thiazolin-4-one mesylate Formula: C19H27N2O5S2- MolecularWeight: 427.55808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N=C(S2)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N=C(S2)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C18H24N2O2S.CH4O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13;1-5(2,3)4/h7-9,21H,1-6H3,(H2,19,20,22);1H3,(H,2,3,4)/p-1/b13-9-;