1-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]cyclohexanecarboxylic acid CAS Name: 1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]cyclohexanecarboxylic acid Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=C(S2)C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=C(S2)C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C15H16BrNO2S/c16-10-4-5-12-11(8-10)17-13(20-12)9-15(14(18)19)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,19)