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

Systemtic Name: 1-[4-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[4-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoyl]piperidine-2-carboxylic acid CAS Name: 1-[4-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]butanoyl]pipecolinic acid Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c1-20-9-4-6-13(20)12-15-17(24)22(19(27)28-15)11-5-8-16(23)21-10-3-2-7-14(21)18(25)26/h4,6,9,12,14H,2-3,5,7-8,10-11H2,1H3,(H,25,26)