(1S,6R)-6-[(2-bromanyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(2-bromanyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(2-bromo-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(2-bromo-4-thiocyanatoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(2-bromo-4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(2-bromo-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H12BrN2O3S- MolecularWeight: 380.23638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O3S/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)/p-1/t10-,11+/m1/s1