(1R,6R)-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-(1,3-benzothiazol-2-yl)-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate Formula: C14H12NO2S- MolecularWeight: 258.31558

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C2=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)/p-1/t9-,10-/m1/s1