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

Systemtic Name: 3-[(5Z)-5-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C17H14ClNO5S2 MolecularWeight: 411.87976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO5S2/c1-3-6-24-15-11(18)7-10(8-12(15)23-2)9-13-16(22)19(17(25)26-13)5-4-14(20)21/h1,7-9H,4-6H2,2H3,(H,20,21)/b13-9-