4-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]butanoic acid

Systemtic Name: 4-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]butanoic acid Openeye Name: 4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-thiazin-4-yl]butanoic acid CAS Name: 4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]butanoic acid IUPAC Name: 4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]butanoic acid Traditional Name: 4-[(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-thiazin-4-yl]butyric acid Formula: C23H31NO4S MolecularWeight: 417.56154

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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=CS2)CCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C=CS2)CCCC(=O)O

InChI

InChI=1S/C23H31NO4S/c1-22(2,3)16-12-15(13-17(20(16)27)23(4,5)6)14-18-21(28)24(10-11-29-18)9-7-8-19(25)26/h10-14,27H,7-9H2,1-6H3,(H,25,26)/b18-14-