1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2,5-dimethylphenyl)thio]acetyl]-4-hydroxy-proline Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S/c1-9-3-4-10(2)13(5-9)21-8-14(18)16-7-11(17)6-12(16)15(19)20/h3-5,11-12,17H,6-8H2,1-2H3,(H,19,20)