1-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-hydroxy-3,5-dimethyl-phenyl)methylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[(4-hydroxy-3,5-dimethylphenyl)methylthio]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanylcarbothioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-hydroxy-3,5-dimethyl-benzyl)thio]carbothioylproline Formula: C15H19NO3S2 MolecularWeight: 325.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CSC(=S)N2CCCC2C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CSC(=S)N2CCCC2C(=O)O

InChI

InChI=1S/C15H19NO3S2/c1-9-6-11(7-10(2)13(9)17)8-21-15(20)16-5-3-4-12(16)14(18)19/h6-7,12,17H,3-5,8H2,1-2H3,(H,18,19)