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1-[1,3-benzothiazol-2-yl-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[1,3-benzothiazol-2-yl-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name:1-[1,3-benzothiazol-2-yl-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[1,3-benzothiazol-2-yl-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[1,3-benzothiazol-2-yl-(2,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[1,3-benzothiazol-2-yl-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[1,3-benzothiazol-2-yl-(2,5-dimethoxyphenyl)methyl]proline
Formula: C21H22N2O4S
MolecularWeight: 398.47538
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O


Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O


InChI

InChI=1S/C21H22N2O4S/c1-26-13-9-10-17(27-2)14(12-13)19(23-11-5-7-16(23)21(24)25)20-22-15-6-3-4-8-18(15)28-20/h3-4,6,8-10,12,16,19H,5,7,11H2,1-2H3,(H,24,25)


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