6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid CAS Name: 6-(1,3-benzothiazol-2-yl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C14H13NO2S/c16-14(17)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)18-13/h1-4,7-10H,5-6H2,(H,16,17)