(1R,2R)-2-[(6-bromanyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[(6-bromanyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[(6-bromo-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C15H14BrN2O3S- MolecularWeight: 382.25226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C15H15BrN2O3S/c16-8-5-6-11-12(7-8)22-15(17-11)18-13(19)9-3-1-2-4-10(9)14(20)21/h5-7,9-10H,1-4H2,(H,20,21)(H,17,18,19)/p-1/t9-,10-/m1/s1