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

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

CC(C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C(=CC3=CC=CN3C)SC2=S

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C(=CC3=CC=CN3C)SC2=S

InChI

InChI=1S/C18H21N3O4S2/c1-11(15(22)20-8-5-12(6-9-20)17(24)25)21-16(23)14(27-18(21)26)10-13-4-3-7-19(13)2/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,24,25)