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

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-4-hydroxy-proline Formula: C14H16BrNO4S MolecularWeight: 374.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C14H16BrNO4S/c1-8-4-9(15)2-3-12(8)21-7-13(18)16-6-10(17)5-11(16)14(19)20/h2-4,10-11,17H,5-7H2,1H3,(H,19,20)