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

Systemtic Name: 4-[(5Z)-5-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(3-bromo-5-methoxy-4-propoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C18H20BrNO5S2 MolecularWeight: 474.3891

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=S)S2)CCCC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O)OC

InChI

InChI=1S/C18H20BrNO5S2/c1-3-7-25-16-12(19)8-11(9-13(16)24-2)10-14-17(23)20(18(26)27-14)6-4-5-15(21)22/h8-10H,3-7H2,1-2H3,(H,21,22)/b14-10-