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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]proline Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O)C

InChI

InChI=1S/C21H22N2O2S/c1-13-9-10-15(14(2)12-13)19(23-11-5-7-17(23)21(24)25)20-22-16-6-3-4-8-18(16)26-20/h3-4,6,8-10,12,17,19H,5,7,11H2,1-2H3,(H,24,25)