1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]proline Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C15H18BrNO3S/c1-9-7-13(10(2)6-11(9)16)21-8-14(18)17-5-3-4-12(17)15(19)20/h6-7,12H,3-5,8H2,1-2H3,(H,19,20)