(1S,2R)-2-(5-chloranyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(5-chloranyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(5-chloro-1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-(5-chloro-1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(5-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(5-chloro-1,3-benzothiazol-2-yl)cyclohexanecarboxylate Formula: C14H13ClNO2S- MolecularWeight: 294.77652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C14H14ClNO2S/c15-8-5-6-12-11(7-8)16-13(19-12)9-3-1-2-4-10(9)14(17)18/h5-7,9-10H,1-4H2,(H,17,18)/p-1/t9-,10+/m1/s1