(1S,6R)-6-[(4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(4-thiocyanatoanilino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H13N2O3S- MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)SC#N)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)SC#N)C(=O)[O-]

InChI

InChI=1S/C15H14N2O3S/c16-9-21-11-7-5-10(6-8-11)17-14(18)12-3-1-2-4-13(12)15(19)20/h1-2,5-8,12-13H,3-4H2,(H,17,18)(H,19,20)/p-1/t12-,13+/m1/s1