1-[6-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoyl]piperidine-4-carboxylic acid CAS Name: 1-[6-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxohexyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoyl]isonipecotic acid Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H27N3O4S2/c1-22-10-5-6-16(22)14-17-19(26)24(21(29)30-17)11-4-2-3-7-18(25)23-12-8-15(9-13-23)20(27)28/h5-6,10,14-15H,2-4,7-9,11-13H2,1H3,(H,27,28)