4,5,5-tributyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 4,5,5-tributyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid Openeye Name: 4,5,5-tributyl-2-thioxo-thiazolidine-4-carboxylic acid CAS Name: 4,5,5-tributyl-2-sulfanylidene-4-thiazolidinecarboxylic acid IUPAC Name: 4,5,5-tributyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid Traditional Name: 4,5,5-tributyl-2-thioxo-thiazolidine-4-carboxylic acid Formula: C16H29NO2S2 MolecularWeight: 331.53696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(NC(=S)S1)(CCCC)C(=O)O)CCCC

Isomeric SMILES

CCCCC1(C(NC(=S)S1)(CCCC)C(=O)O)CCCC

InChI

InChI=1S/C16H29NO2S2/c1-4-7-10-15(11-8-5-2)16(13(18)19,12-9-6-3)17-14(20)21-15/h4-12H2,1-3H3,(H,17,20)(H,18,19)