4-(4-acetyloxyphenyl)sulfanylpyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-acetyloxyphenyl)sulfanylpyrrolidine-2-carboxylic acid Openeye Name: 4-(4-acetoxyphenyl)sulfanylpyrrolidine-2-carboxylic acid CAS Name: 4-[(4-acetyloxyphenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-acetyloxyphenyl)sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 4-[(4-acetoxyphenyl)thio]proline Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)SC2CC(NC2)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)SC2CC(NC2)C(=O)O

InChI

InChI=1S/C13H15NO4S/c1-8(15)18-9-2-4-10(5-3-9)19-11-6-12(13(16)17)14-7-11/h2-5,11-12,14H,6-7H2,1H3,(H,16,17)