1-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(1,3-benzothiazol-2-ylthio)-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)-2-phenyl-acetyl]proline Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H18N2O3S2/c23-18(22-12-6-10-15(22)19(24)25)17(13-7-2-1-3-8-13)27-20-21-14-9-4-5-11-16(14)26-20/h1-5,7-9,11,15,17H,6,10,12H2,(H,24,25)