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

Systemtic Name: 1-[2-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]acetyl]isonipecotic acid Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S2/c1-18-6-2-3-12(18)9-13-15(22)20(17(25)26-13)10-14(21)19-7-4-11(5-8-19)16(23)24/h2-3,6,9,11H,4-5,7-8,10H2,1H3,(H,23,24)