1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]proline Formula: C14H16BrNO3S MolecularWeight: 358.25074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO3S/c1-9-7-10(15)4-5-12(9)20-8-13(17)16-6-2-3-11(16)14(18)19/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)