(1R,6R)-6-[C-oxidanidyl-N-(2-sulfanylphenyl)carbonimidoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[C-oxidanidyl-N-(2-sulfanylphenyl)carbonimidoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[C-oxido-N-(2-sulfanylphenyl)carbonimidoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(2-mercaptophenyl)imino-oxidomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[C-oxido-N-(2-sulfanylphenyl)carbonimidoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[N-(2-mercaptophenyl)-C-oxido-carbonimidoyl]cyclohex-3-ene-1-carboxylate Formula: C14H13NO3S-2 MolecularWeight: 275.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=NC2=CC=CC=C2S)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=NC2=CC=CC=C2S)[O-])C(=O)[O-]

InChI

InChI=1S/C14H15NO3S/c16-13(15-11-7-3-4-8-12(11)19)9-5-1-2-6-10(9)14(17)18/h1-4,7-10,19H,5-6H2,(H,15,16)(H,17,18)/p-2/t9-,10-/m1/s1