(1R,6S)-6-[(2-fluoranyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(2-fluoranyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(2-fluoro-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(2-fluoro-4-thiocyanatoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(2-fluoro-4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(2-fluoro-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H13FN2O3S MolecularWeight: 320.338723

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=C(C=C2)SC#N)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN2O3S/c16-12-7-9(22-8-17)5-6-13(12)18-14(19)10-3-1-2-4-11(10)15(20)21/h1-2,5-7,10-11H,3-4H2,(H,18,19)(H,20,21)/t10-,11+/m0/s1