3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclopentyl-methyl]-1,2-oxaziridine-3-carboxylic acid

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclopentyl-methyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclopentyl-methyl]oxaziridine-3-carboxylic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclopentylmethyl]-3-oxaziridinecarboxylic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclopentylmethyl]oxaziridine-3-carboxylic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclopentyl-methyl]oxaziridine-3-carboxylic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C5(NO5)C(=O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C5(NO5)C(=O)O

InChI

InChI=1S/C22H22N2O4S/c25-21(26)22(24-28-22)20(14-5-1-2-6-14)15-9-11-16(12-10-15)27-13-19-23-17-7-3-4-8-18(17)29-19/h3-4,7-12,14,20,24H,1-2,5-6,13H2,(H,25,26)