2-[2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]ethanoyl]piperazine-1-carboxylic acid

Systemtic Name: 2-[2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]ethanoyl]piperazine-1-carboxylic acid Openeye Name: 2-[2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]acetyl]piperazine-1-carboxylic acid CAS Name: 2-[2-[(8-chloro-2-dibenzofuranyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]acetyl]piperazine-1-carboxylic acid Traditional Name: 2-[2-[(8-chlorodibenzofuran-2-yl)methylthio]acetyl]piperazine-1-carboxylic acid Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H19ClN2O4S/c21-13-2-4-19-15(8-13)14-7-12(1-3-18(14)27-19)10-28-11-17(24)16-9-22-5-6-23(16)20(25)26/h1-4,7-8,16,22H,5-6,9-11H2,(H,25,26)