1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)proline Formula: C14H11ClFNO3S MolecularWeight: 327.758443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C14H11ClFNO3S/c15-11-8-4-3-7(16)6-10(8)21-12(11)13(18)17-5-1-2-9(17)14(19)20/h3-4,6,9H,1-2,5H2,(H,19,20)