[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (1R)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (1R)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] (1R)-cyclohex-3-ene-1-carboxylate CAS Name: (1R)-1-cyclohex-3-enecarboxylic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate Traditional Name: (1R)-cyclohex-3-ene-1-carboxylic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

C1C[C@H](CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C16H15BrN2O3S/c17-13-8-12(23-10-18)6-7-14(13)19-15(20)9-22-16(21)11-4-2-1-3-5-11/h1-2,6-8,11H,3-5,9H2,(H,19,20)/t11-/m0/s1