methyl 8-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]octanoate

Systemtic Name: methyl 8-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]octanoate Openeye Name: methyl 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]octanoate CAS Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]octanoate Traditional Name: 8-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]caprylic acid methyl ester Formula: C32H43NO4S MolecularWeight: 537.75312

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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(C3=CC=CC=C3S2)CCCCCCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CCCCCCCC(=O)OC

InChI

InChI=1S/C32H43NO4S/c1-31(2,3)23-19-22(20-24(29(23)35)32(4,5)6)21-27-30(36)33(25-15-12-13-16-26(25)38-27)18-14-10-8-9-11-17-28(34)37-7/h12-13,15-16,19-21,35H,8-11,14,17-18H2,1-7H3/b27-21+