1-(2-methyl-4-oxidanylidene-4-phenyl-butanethioyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanylidene-4-phenyl-butanethioyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-4-oxo-4-phenyl-butanethioyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-methyl-4-oxo-4-phenyl-1-sulfanylidenebutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-4-oxo-4-phenylbutanethioyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-keto-2-methyl-4-phenyl-butanethioyl)proline Formula: C16H19NO3S MolecularWeight: 305.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=C1)C(=S)N2CCCC2C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=CC=C1)C(=S)N2CCCC2C(=O)O

InChI

InChI=1S/C16H19NO3S/c1-11(10-14(18)12-6-3-2-4-7-12)15(21)17-9-5-8-13(17)16(19)20/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,20)