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

Systemtic Name: 1-[3-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoyl]piperidine-2-carboxylic acid CAS Name: 1-[3-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]propanoyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

CN1C=CC=C1C=C2C(=O)N(C(=S)S2)CCC(=O)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H21N3O4S2/c1-19-8-4-5-12(19)11-14-16(23)21(18(26)27-14)10-7-15(22)20-9-3-2-6-13(20)17(24)25/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H,24,25)