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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]proline Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-25-16-10-4-2-7-13(16)18(22-12-6-9-15(22)20(23)24)19-21-14-8-3-5-11-17(14)26-19/h2-5,7-8,10-11,15,18H,6,9,12H2,1H3,(H,23,24)