1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2,5-dimethylphenyl)thio]acetyl]proline Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-10-5-6-11(2)13(8-10)20-9-14(17)16-7-3-4-12(16)15(18)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,19)