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

Systemtic Name: (1R,6S)-6-[(2-ethyl-6-methyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(2-ethyl-6-methyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(2-ethyl-6-methyl-4-thiocyanatoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(2-ethyl-6-methyl-4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(2-ethyl-6-methyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H19N2O3S- MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-3-12-9-13(24-10-19)8-11(2)16(12)20-17(21)14-6-4-5-7-15(14)18(22)23/h4-5,8-9,14-15H,3,6-7H2,1-2H3,(H,20,21)(H,22,23)/p-1/t14-,15+/m0/s1