1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-phenyl-acetyl]proline Formula: C20H17ClN2O3S2 MolecularWeight: 432.94358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C20H17ClN2O3S2/c21-13-8-9-16-14(11-13)22-20(27-16)28-17(12-5-2-1-3-6-12)18(24)23-10-4-7-15(23)19(25)26/h1-3,5-6,8-9,11,15,17H,4,7,10H2,(H,25,26)