1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]proline Formula: C19H16Cl2N2O2S MolecularWeight: 407.31354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C19H16Cl2N2O2S/c20-11-7-8-12(13(21)10-11)17(23-9-3-5-15(23)19(24)25)18-22-14-4-1-2-6-16(14)26-18/h1-2,4,6-8,10,15,17H,3,5,9H2,(H,24,25)