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

Systemtic Name: 1-[3-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]propanoyl]isonipecotic acid Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-19-7-2-3-13(19)11-14-16(23)21(18(26)27-14)10-6-15(22)20-8-4-12(5-9-20)17(24)25/h2-3,7,11-12H,4-6,8-10H2,1H3,(H,24,25)