6-[(5Z)-5-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-5-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C20H20ClNO5S2 MolecularWeight: 453.9595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O)Cl)OCC#C

InChI

InChI=1S/C20H20ClNO5S2/c1-3-9-27-18-14(21)10-13(11-15(18)26-2)12-16-19(25)22(20(28)29-16)8-6-4-5-7-17(23)24/h1,10-12H,4-9H2,2H3,(H,23,24)/b16-12-