2-[1-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[(5-bromo-1,3-benzothiazol-2-yl)methyl]cyclohexyl]acetic acid Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO2S/c17-11-4-5-13-12(8-11)18-14(21-13)9-16(10-15(19)20)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)