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

Systemtic Name: 1-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,6-dichlorobenzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,6-dichloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3,6-dichlorobenzothiophene-2-carbonyl)proline Formula: C14H11Cl2NO3S MolecularWeight: 344.21304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Cl2NO3S/c15-7-3-4-8-10(6-7)21-12(11(8)16)13(18)17-5-1-2-9(17)14(19)20/h3-4,6,9H,1-2,5H2,(H,19,20)