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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c1-20-8-2-4-14(20)12-15-17(24)22(19(27)28-15)9-3-5-16(23)21-10-6-13(7-11-21)18(25)26/h2,4,8,12-13H,3,5-7,9-11H2,1H3,(H,25,26)