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

Systemtic Name: 1-[4-[4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-4-[4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(5-benzal-4-keto-2-thioxo-thiazolidin-3-yl)butanoyl]isonipecotic acid Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCCN2C(=O)C(=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCCN2C(=O)C(=CC3=CC=CC=C3)SC2=S

InChI

InChI=1S/C20H22N2O4S2/c23-17(21-11-8-15(9-12-21)19(25)26)7-4-10-22-18(24)16(28-20(22)27)13-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,25,26)