(2S,4R)-4-(4-chloranylphenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-(4-chloranylphenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-(4-chlorophenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(4-chlorophenoxy)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-(4-chlorophenoxy)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-(4-chlorophenoxy)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C15H18ClNO4S MolecularWeight: 343.82572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(CS)C(=O)N1C[C@@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClNO4S/c1-9(8-22)14(18)17-7-12(6-13(17)15(19)20)21-11-4-2-10(16)3-5-11/h2-5,9,12-13,22H,6-8H2,1H3,(H,19,20)/t9?,12-,13+/m1/s1