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

Systemtic Name: 1-[(5-methyl-1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[(5-methyl-1,3-benzothiazol-2-yl)methyl]cyclohexanecarboxylic acid CAS Name: 1-[(5-methyl-1,3-benzothiazol-2-yl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(5-methyl-1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[(5-methyl-1,3-benzothiazol-2-yl)methyl]cyclohexanecarboxylic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)CC3(CCCCC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)CC3(CCCCC3)C(=O)O

InChI

InChI=1S/C16H19NO2S/c1-11-5-6-13-12(9-11)17-14(20-13)10-16(15(18)19)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)