2-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid IUPAC Name: 2-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[(5Z)-4-keto-5-(3-methoxy-4-octoxy-benzylidene)-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionic acid Formula: C28H33NO5S2 MolecularWeight: 527.69532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C28H33NO5S2/c1-3-4-5-6-7-11-16-34-23-15-14-21(18-24(23)33-2)19-25-26(30)29(28(35)36-25)22(27(31)32)17-20-12-9-8-10-13-20/h8-10,12-15,18-19,22H,3-7,11,16-17H2,1-2H3,(H,31,32)/b25-19-