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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-isopropylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-propan-2-ylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(p-cumenyl)methyl]proline Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-14(2)15-9-11-16(12-10-15)20(24-13-5-7-18(24)22(25)26)21-23-17-6-3-4-8-19(17)27-21/h3-4,6,8-12,14,18,20H,5,7,13H2,1-2H3,(H,25,26)