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

Systemtic Name: 2-[(5Z)-5-[(4-butoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 2-[(5Z)-5-[(4-butoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 2-[(5Z)-5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 2-[(5Z)-5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 2-[(5Z)-5-(4-butoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S2/c1-3-4-9-22-13-7-5-12(6-8-13)10-14-15(19)18(17(23)24-14)11(2)16(20)21/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)/b14-10-