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

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

Systemtic Name:1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[1,3-benzothiazol-2-yl-(3-phenoxyphenyl)methyl]proline
Formula: C25H22N2O3S
MolecularWeight: 430.51878
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O


Isomeric SMILES

C1CC(N(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C(=O)O


InChI

InChI=1S/C25H22N2O3S/c28-25(29)21-13-7-15-27(21)23(24-26-20-12-4-5-14-22(20)31-24)17-8-6-11-19(16-17)30-18-9-2-1-3-10-18/h1-6,8-12,14,16,21,23H,7,13,15H2,(H,28,29)


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