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

Systemtic Name: 3-[5-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(3-bromo-5-methoxy-4-propoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C17H18BrNO5S2 MolecularWeight: 460.36252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO5S2/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/h7-9H,3-6H2,1-2H3,(H,20,21)