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

Systemtic Name: 1-[4-(4-chlorophenyl)sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(4-chlorophenyl)sulfanylbutanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(4-chlorophenyl)thio]-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(4-chlorophenyl)sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[(4-chlorophenyl)thio]butanoyl]proline Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCCSC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H18ClNO3S/c16-11-5-7-12(8-6-11)21-10-2-4-14(18)17-9-1-3-13(17)15(19)20/h5-8,13H,1-4,9-10H2,(H,19,20)