(1S,6R)-6-(5-chloranyl-1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-(5-chloranyl-1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(5-chloro-1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-(5-chloro-1,3-benzothiazol-2-yl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(5-chloro-1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(5-chloro-1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid Formula: C14H12ClNO2S MolecularWeight: 293.76858

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C14H12ClNO2S/c15-8-5-6-12-11(7-8)16-13(19-12)9-3-1-2-4-10(9)14(17)18/h1-2,5-7,9-10H,3-4H2,(H,17,18)/t9-,10+/m1/s1