methyl 2-[(2Z)-2-[(4-acetyloxy-3-tert-butyl-phenyl)methylidene]-3-sulfanylidene-thiomorpholin-4-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-[(4-acetyloxy-3-tert-butyl-phenyl)methylidene]-3-sulfanylidene-thiomorpholin-4-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-[(4-acetoxy-3-tert-butyl-phenyl)methylene]-3-thioxo-thiomorpholin-4-yl]acetate CAS Name: 2-[(2Z)-2-[(4-acetyloxy-3-tert-butylphenyl)methylidene]-3-sulfanylidene-4-thiomorpholinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-[(4-acetyloxy-3-tert-butylphenyl)methylidene]-3-sulfanylidenethiomorpholin-4-yl]acetate Traditional Name: 2-[(2Z)-2-(4-acetoxy-3-tert-butyl-benzylidene)-3-thioxo-thiomorpholin-4-yl]acetic acid methyl ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=C2C(=S)N(CCS2)CC(=O)OC)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=S)N(CCS2)CC(=O)OC)C(C)(C)C

InChI

InChI=1S/C20H25NO4S2/c1-13(22)25-16-7-6-14(10-15(16)20(2,3)4)11-17-19(26)21(8-9-27-17)12-18(23)24-5/h6-7,10-11H,8-9,12H2,1-5H3/b17-11-