2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoic acid Openeye Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid IUPAC Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C16H19NO2S/c18-15(19)11-16(8-4-1-5-9-16)10-14-17-12-6-2-3-7-13(12)20-14/h2-3,6-7H,1,4-5,8-11H2,(H,18,19)