1-[2-(4-chlorophenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-chlorophenyl)thio]propanoyl]proline Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClNO3S/c1-9(20-11-6-4-10(15)5-7-11)13(17)16-8-2-3-12(16)14(18)19/h4-7,9,12H,2-3,8H2,1H3,(H,18,19)