methyl 6-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: methyl 6-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 6-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-5-(4-butoxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid methyl ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)OC)OC

InChI

InChI=1S/C22H29NO5S2/c1-4-5-13-28-17-11-10-16(14-18(17)26-2)15-19-21(25)23(22(29)30-19)12-8-6-7-9-20(24)27-3/h10-11,14-15H,4-9,12-13H2,1-3H3/b19-15+