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

Systemtic Name: 2-[5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-pentanoic acid Openeye Name: 2-[5-[(3-bromo-4-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-pentanoic acid CAS Name: 2-[5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-methylpentanoic acid IUPAC Name: 2-[5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylpentanoic acid Traditional Name: 2-[5-(3-bromo-4-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-methyl-valeric acid Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C(=CC2=CC(=C(C=C2)OC)Br)SC1=S

Isomeric SMILES

CC(C)CC(C(=O)O)N1C(=O)C(=CC2=CC(=C(C=C2)OC)Br)SC1=S

InChI

InChI=1S/C17H18BrNO4S2/c1-9(2)6-12(16(21)22)19-15(20)14(25-17(19)24)8-10-4-5-13(23-3)11(18)7-10/h4-5,7-9,12H,6H2,1-3H3,(H,21,22)