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

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methyl]-1,2-oxaziridine-3-carboxylic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methyl]oxaziridine-3-carboxylic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexylmethyl]-3-oxaziridinecarboxylic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexylmethyl]oxaziridine-3-carboxylic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methyl]oxaziridine-3-carboxylic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C5(NO5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C5(NO5)C(=O)O

InChI

InChI=1S/C23H24N2O4S/c26-22(27)23(25-29-23)21(15-6-2-1-3-7-15)16-10-12-17(13-11-16)28-14-20-24-18-8-4-5-9-19(18)30-20/h4-5,8-13,15,21,25H,1-3,6-7,14H2,(H,26,27)